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Results for “generalization bounds”

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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
NASA NTRS1995

Harmonic oscillator representation in the theory of scattering and nuclear reactions

The following questions, concerning the application of the harmonic oscillator representation (HOR) in the theory of scattering and reactions, are discussed: the formulation of the scattering theory in HOR; exact solutions of the free motion Schroedinger equation in HOR; separable expansion of the short range potentials and the calculation of the phase shifts; 'isolated states' as generalization of the Wigner-von Neumann bound states embedded in continuum; a nuclear coupled channel problem in HOR; and the description of true three body scattering in HOR. As an illustration the soft dipole mode in the (11)Li nucleus is considered in a frame of the (9)Li+n+n cluster model taking into account of three body continuum effects.

Smirnov, Yuri F.↗
DOE OSTI2026

Radiative Electronic Bound States in the Continuum from Defects in Semiconductors

Continuum-buried defect states in semiconductors are generally expected to be optically inactive because of their strong coupling to continuum bands. Here, we show that such defects can instead host radiative electronic bound states in the continuum (BICs) using the silicon G center as a prototypical example. Hybrid functional first-principles calculations with a Hubbard U correction reveal that a localized defect state, initially buried below the valence band maximum (VBM) in the ground state, undergoes exchange-driven energy-level reordering under optical excitation and shifts above the VBM. This exchange-induced transition suppresses nonradiative decay and enables a robust radiative emission. By computing temperature-dependent nonradiative lifetimes and comparing them to experimental photoluminescence (PL) lifetimes, we quantitatively reproduce the observed temperature dependence of the emission. These results uncover a stabilization mechanism for continuum-embedded defect states and establish electronic BICs as a general paradigm for designing defect-based optical systems, including quantum emitters and qubits.

Hong, SeongYun↗
DOE OSTI2026

Robust Containment Queries over Collections of Trimmed NURBS Surfaces via Generalized Winding Numbers

Here, we propose a containment query that is robust to the watertightness of regions bound by trimmed NURBS surfaces, as this property is difficult to guarantee for in-the-wild CAD models. Containment is determined through the generalized winding number (GWN), a mathematical construction that is indifferent to the arrangement of surfaces in the shape. Applying contemporary techniques for the 3D GWN to trimmed NURBS surfaces requires some form of geometric discretization, introducing computational inefficiency to the algorithm and even risking containment misclassifications near the surface. In contrast, our proposed method leverages properties of the 3D solid angle to solve the relevant surface integral using a boundary formulation with rapidly converging adaptive quadrature. Batches of queries are further accelerated by memoizing (i.e., caching and reusing) quadrature node positions and tangents as they are evaluated. We demonstrate that our GWN method is robust to complex trimming geometry in a CAD model, and is accurate up to arbitrary precision at arbitrary distances from the surface. The derived containment query is therefore robust to model non-watertightness while respecting all curved features of the input shape.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

On the Impact of Bus Dwelling on Macroscopic Fundamental Diagrams

Network macroscopic fundamental diagrams (MFDs) have recently been shown to exist in real-world urban traffic networks. When present, MFDs can be used to model traffic dynamics within an urban network by dividing the network into a set of spatially compact homogeneous regions and tracking the average level of congestion in each region. Existing analytical methods to estimate MFD mostly focus on the behavior of a single type of vehicle and do not capture the patterns of mixed traffic (e.g., cars and buses). The existence of buses matters since a bus will block the movements of other vehicles when it dwells at the bus stop. This paper proposes an analytical method to estimate the impact of bus dwelling on a network’s MFD based on the network’s geometric features, traffic control strategies, and bus operation parameters, and validates the performance of the proposed method using simulations based on microscopic traffic models. Comparisons of the analytical and simulation results show that the proposed analytical method can generally provide a good estimate of the lower bound and upper bound of the network’s MFD.

Xu, Guanhao↗
DOE OSTI2025

An unusual Co–S bond links B 12 chaperones in an interprotein complex

Chaperones in trafficking pathways ensure specificity of transition metal loading and protection against adventitious side reactions. In B 12 , an essential cofactor for humans, a cobalt ion is coordinated to a >1.3 kDa tetrapyrrolic scaffold, posing logistical challenges for its translocation. In this study, we report the 3.4 Å crystal structure of the human MMACHC and MMADHC B 12 chaperones, tethered via a rarely seen covalent cobalt–sulfur bond. B 12 is bound in the base-off state to MMACHC, with Cys-261 on MMADHC serving as the upper axial ligand; the lower-axial position is vacant. The propensity of thiolato-cobalamin derivatives bound to MMACHC to undergo spontaneous decomposition via general acid catalysis or reduction/oxidation chemistry is averted in the interprotein complex with MMADHC. An exposed face in the complex suggests an exit route for B 12 . No known clinical variants localize to the interprotein interface, consistent with the cobalt–sulfur bond being key to forming the high-affinity complex.

Science & Technology - Other Topics↗
NASA NTRS1988

Trapping Ne, Ar, Kr, and Xe in Si2O3 smokes

Simple Si2O3 smokes have been condensed at both low (less than 750 K) and high (greater than 1000 K) temperature at 35 torr H2 pressure in the presence of 0, 10, 100, and 1000 microns of a noble gas mixture containing Ne, Ar, Kr, and Xe. In general, both Ne and Ar are quite loosely bound in the smokes (6.0 x 10 to the -8th and 2.6 x 10 to the -4th ccSTP/g, respectively), and are degassed at temperatures below 1200 K. Both Kr and Xe are somewhat more strongly bound at concentrations of 1.0 x 10 to the -7th and 8.2 x 10 to the -8th ccSTP/g, respectively, and in addition show a double release with a second component at a temperature of about 1875 K. With the exception that Si2O3 smokes appear to show a particular affinity for argon, possibly due to an anomalous absorption of atmospheric argon, none of the other noble gases are found in sufficient concentration to explain the gases observed in meteorites as primary circumstellar condensates. However, this data in conjunction with observations of Honda et al. (1979) do seem to show a degree of dependence between noble gas retention and chemical composition.

Nuth, Joseph A., III↗
NASA NTRS2001

Exobiochemistry

Exobiochemistry is the putative biochemistry of extraterrestrial life. It suggests the possible energy and material bases of extraterrestrial life and could help detect it. The diverse biochemistry of Earth indicates that a wide range of exobiochemistry is possible on other planets. An exobiochemistry will probably use the same energy sources as Earths ecology, light, biological organic material, and more rarely abiotic chemicals. Extraterrestrial life will be based on familiar chemical principles and probably capture, store, and release energy using oxidation-reduction reactions. Extraterrestrial life will give chemical indications of its existence. Key elements will be concentrated, stored, and recycled, altering their availability and isotopic composition. Any significant departure from chemical equilibrium would be good evidence for exobiochemistry, but an integrated system of departures from the expected equilibrium would be better. Exobiochemistry can be expected to include closed biogeochemical cycles of the major life supporting elements and may well show the complex dynamic close-coupled interactions that characterize the terrestrial biosphere. Terrestrial biochemistry provides a basis for generalization and extrapolation but it does not set bounds on exobiochemistry. In exobiochemistry we can expect: 1. closed chemical cycles that recycle materials, nutrients, and catalysts, 2. organisms with complementary metabolisms that cooperate to close the chemical cycles, 3. a high probability of a carbon and water chemistry, but some possibility of a non-carbon or non-water chemistry in extreme environments, and, 4. life similar to bacteria more prevalent than higher plants and animals.

Jones, Harry↗
DOE OSTI2024

ALP contribution to the strong C P problem

We compute the one-loop contribution to the θ ¯ parameter of an faxionlike particle (ALP) with C P -odd derivative couplings. Its contribution to the neutron electric dipole moment is shown to be orders of magnitude larger than that stemming from the one-loop ALP contributions to the up- and down-quark electric and chromoelectric dipole moments. This strongly improves existing bounds on ALP-fermion C P -odd interactions and also sets limits on previously unconstrained couplings. The case of a general singlet scalar is analyzed as well. In addition, we explore how the bounds are modified in the presence of a Peccei-Quinn symmetry. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
NASA NTRS1995

A Game Theoretic Fault Detection Filter

The fault detection process is modelled as a disturbance attenuation problem. The solution to this problem is found via differential game theory, leading to an H(sub infinity) filter which bounds the transmission of all exogenous signals save the fault to be detected. For a general class of linear systems which includes some time-varying systems, it is shown that this transmission bound can be taken to zero by simultaneously bringing the sensor noise weighting to zero. Thus, in the limit, a complete transmission block can he achieved, making the game filter into a fault detection filter. When we specialize this result to time-invariant system, it is found that the detection filter attained in the limit is identical to the well known Beard-Jones Fault Detection Filter. That is, all fault inputs other than the one to be detected (the "nuisance faults") are restricted to an invariant subspace which is unobservable to a projection on the output. For time-invariant systems, it is also shown that in the limit, the order of the state-space and the game filter can be reduced by factoring out the invariant subspace. The result is a lower dimensional filter which can observe only the fault to be detected. A reduced-order filter can also he generated for time-varying systems, though the computational overhead may be intensive. An example given at the end of the paper demonstrates the effectiveness of the filter as a tool for fault detection and identification.

Chung, Walter H.↗
NASA NTRS1973

On the error probability of general tree and trellis codes with applications to sequential decoding

An upper bound on the average error probability for maximum-likelihood decoding of the ensemble of random binary tree codes is derived and shown to be independent of the length of the tree. An upper bound on the average error probability for maximum-likelihood decoding of the ensemble of random L-branch binary trellis codes of rate R = 1/n is derived which separates the effects of the tail length T and the memory length M of the code. It is shown that the bound is independent of the length L of the information sequence. This implication is investigated by computer simulations of sequential decoding utilizing the stack algorithm. These simulations confirm the implication and further suggest an empirical formula for the true undetected decoding error probability with sequential decoding.

Johannesson, R.↗
DOE OSTI2024

Interpolation of compound semiconductor alloy parameters from those of their constituents

Several methods have been proposed for interpolation of the value of physical parameters of quaternary alloys from those of their constituent ternary and binary sub-alloys. These expressions agree when non-linear bowing terms are not required; they differ in how the bowing terms of the bounding ternaries should be utilized. Common interpolation expressions for quaternaries can be generalized into two groups: (1) those that use a linear interpolation of the nearest ternary parameter values and (2) those that interpolate over binary values with a bowing term derived from the bounding ternaries. The second group of methods is equivalent to a polynomial expansion over the alloy’s interpolation space. For compound semiconductor alloys, the geometry of the composition space is the direct sum of the group-III and group-V mixture sub-spaces. The mixture sub-spaces are best described using barycentric coordinates on a regular simplex. A general polynomial expansion of the value of an alloy parameter using barycentric coordinates for the group-III and group-V simplex spaces is described along with an algorithm to generate interpolation expressions for alloys with arbitrary numbers of elements, including quinary and senary alloys. It is shown that a polynomial expansion produces values in closer agreement with the direct gap of quaternaries lattice-matched to common substrates than do approaches using an interpolation of the ternary values, despite a prominent recommendation to the contrary. Finally, a quaternary correction term is described that improves the predicted direct bandgap energies of GaInAsSb for compositions near those lattice matched to InP, InAs, and GaSb.

Olesberg, Jonathon T. [Sandia National Laboratorie↗
NASA NTRS1949

Gas Motion in a Local Supersonic Region and Conditions of Potential-Flow Breakdown

For a certain Mach number of the oncoming flow, the local velocity first reaches the value of the local velocity of sound (M = 1) at some point on the surface of the body located within the flow. This Mach number is designated the critical Mach number M(sub cr). By increasing the flow velocity, a supersonic local region is formed bounded by the body contour and the line of transition from subsonic to supersonic velocity. As is shown by observations with the Toepler apparatus, at a certain flow Mach number M > M(sub cr) a shock wave is formed near the body that closes the local supersonic region from behind. The formation of the shock wave is associated with the appearance of an additional resistance defined as the wave drag. In this paper, certain features are described of the flow in the local supersonic region, which is bounded by the contour of the body and the transition line, and conditions are sought for which the potential flow with the local supersonic region becomes impossible and a shock wave occurs. In the first part of the paper, the general properties of the potential flow in the local supersonic region, bounded by the contour of the profile and the transition line, are established. It is found that at the transition line, if it is not a line of discontinuity, the law of monotonic variation of the angle of inclination of the velocity vector holds (monotonic law). An approximation is given for the change in velocity at the contour of the body. The flow about a contour having a straight part is studied. In the second part of the paper, an approximation is given of the magnitudes of the accelerations at the interior points of the supersonic region. With the aid of these approximations, it is shown that for profiles convex to the flow the breakdown of the potential flow,associated with an increase of the Mach number of the oncoming flow, cannot be due to the formation of an envelope of the characteristics within the supersonic region. On the basis of the monotonic law, the transitional Mach number M is found, beyond which the potential flow with local supersonic region becomes impossible.

Nikolskii, A. A.↗
NASA NTRS1988

Finite-state codes

A class of codes called finite-state (FS) codes is defined and investigated. The codes, which generalize both block and convolutional codes, are defined by their encoders, which are finite-state machines with parallel inputs and outputs. A family of upper bounds on the free distance of a given FS code is derived. A general construction for FS codes is given, and it is shown that in many cases the FS codes constructed in this way have a free distance that is the largest possible. Catastrophic error propagation (CEP) for FS codes is also discussed. It is found that to avoid CEP one must solve the graph-theoretic problem of finding a uniquely decodable edge labeling of the state diagram.

Pollara, Fabrizio↗
NASA NTRS1980

The composition of the Martian dark regions: Observations and analysis

Near infrared telescopic spectrophotometry for dark regions is present and interpreted using laboratory studies of iron bearing mineral mixtures and terrestrial oxidized and unoxidized basalts. Upon closer inspection (by spacecraft) the telescopic dark regions were found to consist of large scale intermixtures of bright soil (aeolian dust) and dark materials. The dark materials themselves consist of an intimate physical association of very fine grained ferric oxide bearing material with relatively high near infrared reflectance and darker, relatively unoxidized rocks or rock fragments. While these two components could exist finely intermixed in a soil, a number of lines of evidence indicate that the usual occurrence is probably a thin coating of physically bound oxidized material. The coated rocks are dark and generally clinopyroxene bearing. The shallow band depths and low overall reflectances indicate that opaque minerals such as magnetite are probably abundant.

Singer, R. B.↗
NASA NTRS1985

Fluvial Drainage Basins and Valley Networks: Eastern Margaritifer Sinus, Mars

The fluvial drainage of the eastern Margaritifer Sinus (MC-19NE, SE) and northeastern Argyre (MC-26NE) Quadrangles is dominated by two major longitudinal valley networks, the Parana/Loire system on the east, and the Samara Himera system to the west. It is believed that both of these drainages are through-going to the northwest and debouch into Margaritifer Chaos (general location: 12S, 22.5W). The Parana/Loire drainage is bounded on the east in part by an ancient multi-ringed impact basin. The Parana multi-digitate network drains northwest into a depositional basin, and impact basin floor, characterized by positive relief chaos. It is believed that Loire Vallis heads in the basin; thus Parana and Loire Valles may be treated as one system. Samara Valles heads in the northeastern Argyre Quadrangle and extends as a major truck valley to the northwest. Samara Valles cuts through the hills forming one of the concentric rings of the Ladon impact basin and joins the Himera drainage to trend in a more northerly direction to Margaritifer Chaos. The downstream portion of Himera is considered to be part of the Samara

Boothroyd, J. C.↗
NASA NTRS1986

Migration of the separation point on a deforming cylinder

An iterative scheme of solving the Navier-Stokes equations for unsteady two-dimensional flow about a deforming and translating cylinder is given. In the kth iteration, the convected vorticity appears as the source term in an equation of transient diffusion of vorticity. A novel integral transform is used to reduce this transient vorticity equation to a k-dimensional heat equation. The bounded solution of this equation is obtained with a general method of superposition for problems involving a moving boundary. An equation describing the migration of the separation point on a deforming cylinder in unsteady cross flows is derived from the analytically obtained velocity field. The radial expansion of the cylinder surface is shown to hasten the separation time and to increase the separation angle. The results imply that in the steady flow past a body that is moving forward and sinking at constant rates, the locus of points at which the azimuthal component of skin friction changes sign originates on the leeward ray at a point downstream of the front tip.

Lin, S. P.↗
NASA NTRS2001

Complex Correlation Calculation of e-H Total Cross Sections

Calculation of e-H total and elastic partial wave cross sections is being carried out using the complex correlation variational T-matrix method. In this preliminary study, elastic partial wave phase shifts are calculated with the correlation functions which are confined to be real. In that case the method reduces to the conventional optical potential approach with projection operators. The number of terms in the Hylleraas-type wave function for the S phase shifts is 95 while for the S it is 56, except for k=0.8 where it is 84. Our results, which are rigorous lower bounds, are given. They are seen to be in general agreement with those of Schwartz, but they are of 0 greater accuracy and outside of his error limits for k=0.3 and 0.4 for S. The main aim of this approach' is the application to higher energy scattering. By virtue of the complex correlation functions, the T matrix is not unitary so that elastic and total scattering cross sections are independent of each other. Our results will be compared specifically with those of Bray and Stelbovics.

Bhatia, A. K.↗