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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
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 OSTI2022

Brown-York charges at null boundaries

The Brown-York stress tensor provides a means for defining quasilocal gravitational charges in subregions bounded by a timelike hypersurface. We consider the generalization of this stress tensor to null hypersurfaces. Such a stress tensor can be derived from the on-shell subregion action of general relativity associated with a Dirichlet variational principle, which fixes an induced Carroll structure on the null boundary. The formula for the mixed-index tensor T i j takes a remarkably simple form that is manifestly independent of the choice of auxiliary null vector at the null surface, and we compare this expression to previous proposals for null Brown-York stress tensors. The stress tensor we obtain satisfies a covariant conservation equation with respect to any connection induced from a rigging vector at the hypersurface, as a result of the null constraint equations. For transformations that act covariantly on the boundary structures, the Brown-York charges coincide with canonical charges constructed from a version of the Wald-Zoupas procedure. For anomalous transformations, the charges differ by an intrinsic functional of the boundary geometry, which we explicity verify for a set of symmetries associated with finite null hyper-surfaces. Applications of the null Brown-York stress tensor to symmetries of asymptotically flat spacetimes and celestial holography are discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

The mean logarithm emerges with self-similar energy balance.

The attached eddy hypothesis of Townsend (The Structure of Turbulent Shear Flow, 1956, Cambridge University Press) states that the logarithmic mean velocity admits self-similar energy-containing eddies which scale with the distance from the wall. Over the past decade, there has been a significant amount of evidence supporting the hypothesis, placing it to be the central platform for the statistical description of the general organisation of coherent structures in wall-bounded turbulent shear flows. Nevertheless, the most fundamental question, namely why the hypothesis has to be true, has remained unanswered over many decades. Under the assumption that the integral length scale is proportional to the distance from the wall y , in the present study we analytically demonstrate that the mean velocity is a logarithmic function of y if and only if the energy balance at the integral length scale is self-similar with respect to y , providing a theoretical basis for the attached eddy hypothesis. The analysis is subsequently verified with the data from a direct numerical simulation of incompressible channel flow at the friction Reynolds number Reτ≃5200 (Lee & Moser, J. Fluid Mech., vol. 774, 2015, pp. 395–415).

42 ENGINEERING↗
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 OSTI2021

Binding of noble gas atoms by superhalogens

Because of their closed shells, noble gas (Ng) atoms (Ng = Ne, Ar, Kr, and Xe) seldom take part in chemical reactions, yet finding such mechanisms not only is of scientific interest but also has practical significance. Following a recent work by Mayer et al. [Proc. Natl. Acad. Sci. U. S. A. 116, 8167–8172 (2019)] on the room temperature binding of Ar to a superelectrophilic boron site embedded in a negative ion complex, B 12 (CN) 11 - , we have systematically studied the effect of cluster size and terminal ligands on the interaction of Ng by focusing on B 12 X 11 (Ng) (X = H, CN, and BO) and B 12 X 10 (Ng) 2 (X = CN and BO) whose stabilities are governed by the Wade–Mingos rule and on C 5 BX 5 (Ng) (X = H, F, and CN) and C 4 B 2 (CN) 4 (Ng) 2 whose stabilities are governed by the Huckel’s aromaticity rule. Our conclusion, based on density functional theory, is that both the cluster size and the terminal ligands matter—the interaction between the cluster and the Ng atoms becomes stronger with increasing cluster size and the electron affinity of the terminal ligands. Our studies also led to a counter-intuitive finding—removing multiple terminal ligands can enable electrophilic centers to bind multiple Ng atoms simultaneously without compromising their binding strength.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
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 OSTI2023

Kernel Buffer Volume Fraction Margin of the AGR Designed Fuel Particle

Modeling results used to assess the fuel performance of the TRISO-coated fuel particles as a function of kernel/buffer volume fraction include SiC tangential stress, formation of the buffer/IPyC gap, particle temperature profile, internal particle pressure, fission gas released from the kernel, probability of fuel particle failure, and fission product diffusion. These results were evaluated at two burnup levels and irradiation temperatures to bound expected steady-state irradiation conditions. In general, increasing the kernel/buffer volume fraction increases the SiC stress and subsequently the failure probability of a fuel particle when compared to the AGR designed particle. There was little impact on the fission product diffusion through the particle as the kernel/buffer volume fraction increased.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
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↗
DOE OSTI2021

Astrophysical and Theoretical Physics Implications from Multimessenger Neutron Star Observations

Here, the Neutron Star Interior Composition Explorer (NICER) recently measured the mass and equatorial radius of the isolated neutron star PSR J0030+0451. We use these measurements to infer the moment of inertia, the quadrupole moment, and the surface eccentricity of an isolated neutron star for the first time, using relations between these quantities that are insensitive to the unknown equation of state of supranuclear matter. We also use these results to forecast the moment of inertia of neutron star A in the double pulsar binary J0737-3039, a quantity anticipated to be directly measured in the coming decade with radio observations. Combining this information with the measurement of the tidal Love number with LIGO/Virgo observations, we propose and implement the first theory-agnostic and equation-of-state-insensitive test of general relativity. Specializing these constraints to a particular modified theory, we find that consistency with general relativity places the most stringent constraint on gravitational parity violation to date, surpassing all other previously reported bounds by 7 orders of magnitude and opens the path for a future test of general relativity with multimessenger neutron star observations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
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↗
DOE OSTI2020

Tighter reformulations using classical Dawson and Sankoff bounds for approximating two-stage chance-constrained programs

We extend and improve recent results given by Singh and Watson on using classical bounds on the union of sets in a chance-constrained optimization problem. Specifically, we revisit the so-called Dawson and Sankoff bound that provided one of the best approximations of a chance constraint in the previous analysis. Next, we show that our work is a generalization of the previous work, and in fact the inequality employed previously is a very relaxed approximation with assumptions that do not generally hold. Computational results demonstrate on average over a 43% improvement in the bounds. As a byproduct, we provide an exact reformulation of the floor function in optimization models.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Theorem on extensive spectral degeneracy for systems with rigid higher symmetries in general dimensions

We establish, in the spirit of the Lieb-Schultz-Mattis theorem, lower bounds on the spectral degeneracy of quantum systems with higher (gaugelike) symmetries with rather generic physical boundary conditions in an arbitrary number of spatial dimensions. Contrary to applying twists or equivalent adiabatic operations, we exploit the effects of modified boundary conditions. We find that when a general choice of boundary geometry is immaterial in determining spectral degeneracies while approaching the thermodynamic limit, systems that exhibit rigid noncommuting gaugelike symmetries, such as the orbital compass model, must have an exponential (in the size of the boundary) degeneracy of each of their spectral levels.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
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↗