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At least 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Identifying and classifying localized states in gapless systems using pseudospectral methods

For decades, band theory has been used to understand the physical properties of crystals by leveraging these systems’ translational symmetries to determine the spectral range and distribution of their Bloch eigenstates. However, many important phenomena only manifest at a crystal’s defects or boundaries where this translational symmetry is broken, such as defect-localized states that appear at color centers, or boundary-localized states whose existence is guaranteed by topology. Although it is possible to extend band theoretic approaches to study these classes of states, these extensions are only applicable in gapped systems, where any localized states are spectrally isolated from the crystal’s bulk states.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Conformal Hierarchical Simulation-Based Inference with Local Validity

Trustworthy and interpretable uncertainty quantification is a long-standing challenge in artificial intelligence. Simulation-based inference (SBI) comprises a broad swath of approaches for estimating latent parameters with uncertainties. Although flexible neural density estimators in SBI can be remark- ably expressive capturing highly structured, high-dimensional posteriors their credible regions can be badly mis-calibrated and are often only accompanied by heuristic coverage checks. We present the first SBI framework that delivers finite-sample local valid coverage guarantees that hold in the neighborhood of each observation. Our framework can couple any off-the-shelf hierarchical SBI engine with a confor- mal Bayesian post-processing step that operates on the posterior predictive density. A kernel-weighted conformity score adapts the conformal quantile to the local geometry of the data, yielding prediction sets that are simultaneously (i) marginally calibrated, (ii) locally valid, and (iii) hierarchical, handling global and observation-specific parameters in a single pass. Through experiments on synthetic data and benchmarks from neuroscience and physics, we show that our approach attains 1 − α coverage, where prior SBI methods under- or over-cover. Our approach also maintains a competitive, credible set size with minimal computational overhead. Finally, our approach can be used to make predictions on real data and give valid credible regions modulo weight-initialization-based model mis-specification.

Trivedi, Shubhendu [Fermilab]↗
DOE OSTI2025

Real-Time Partitioning of Diurnal Stem CO 2 Efflux into Local Stem Respiration and Xylem Transport Processes

The apparent respiratory quotient (ARQ) of tree stems, defined as the ratio of net stem CO 2 efflux (E S_CO2 ) to net stem O 2 influx (E S_O2 ), offers insights into the balance between local respiratory CO 2 production and CO 2 transported via the xylem. Traditional static chamber methods for measuring ARQ can introduce artifacts and obscure natural diurnal variations. Here, we employed an open flow-through stem chamber with ambient air coupled with cavity ring-down spectrometry, which uses the molecular properties of CO 2 and O 2 molecules to continuously measure E S_CO2 , E S_O2 , and ARQ, at the base of a California cherry tree (Prunus ilicifolia) during the 2024 growing season. Measurements across three stem chambers over 3–11-day periods revealed strong correlations between E S_CO2 and E S_O2 and mean ARQ values ranging from 1.3 to 2.9, far exceeding previous reports. Two distinct diurnal ARQ patterns were observed: daytime suppression with nighttime recovery, and a morning peak followed by gradual decline. Partitioning E S_CO2 into local respiration and xylem-transported CO 2 indicated that the latter can dominate when ARQ exceeds 2.0. Furthermore, transported CO 2 exhibited a higher temperature sensitivity than local respiration, with both processes showing declining temperature sensitivity above 20 °C. These findings underscore the need to differentiate stem CO 2 flux components to improve our understanding of whole-tree carbon cycling.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

On the hardness of learning ground state entanglement of geometrically local Hamiltonians

Characterizing the entanglement structure of ground states of local Hamiltonians is a fundamental problem in quantum information. In this work we study the computational complexity of this problem, given the Hamiltonian as input. Our main result is that to show it is cryptographically hard to determine if the ground state of a geometrically local, polynomially gapped Hamiltonian on qudits (d=O(1)) has near-area law vs near-volume law entanglement. This improves prior work of Bouland et al. (arXiv:2311.12017) showing this for non-geometrically local Hamiltonians. In particular we show this problem is roughly factoring-hard in 1D, and LWE-hard in 2D. Our proof works by constructing a novel form of public-key pseudo-entanglement which is highly space-efficient, and combining this with a modification of Gottesman and Irani's quantum Turing machine to Hamiltonian construction. Our work suggests that the problem of learning so-called "gapless" quantum phases of matter might be intractable.

Computational Complexity (cs.CC)↗
DOE OSTI2026

Ab Initio Many Body Quantum Embedding and Local Correlation in Crystalline Materials using Interpolative Separable Density Fitting

We present an efficient implementation of ab initio many-body quantum embedding and local correlation methods for infinite periodic systems through translational symmetry adapted interpolative separable density fitting, an approach which reduces the scaling of the calculations to only linear with the number of k-points. Employing this methodology, we compute correlated ground-state coupled cluster energies within density matrix embedding and local natural orbital correlation frameworks for both weakly and strongly correlated solids, using up to 1000 k-points. By extrapolating the local correlation domains and k-point sampling we further obtain estimates of the full coupled cluster with singles, doubles, and perturbative triples ground-state energies in the thermodynamic limit.

Chemical Physics (physics.chem-ph)↗
NASA NTRS1972

Binary index for assessing local bow shock obliquity.

The earth's collisionless plasma bow shock has, overall, a nonuniform structure whose magnetic profile is simultaneously that of a monotonic or laminar perpendicular shock and of a multigradient oblique shock, depending on the local orientation of the interplanetary field to the nominal shock surface. A 'pulsation index' Ip has been devised from empirical results to provide a simple convenient means of assessing the probable local character of the shock's structure; Ip = 0 or 1, according to whether local field geometry favors perpendicular or oblique structure, respectively, at a chosen point of observation on the nominal shock surface.

Greenstadt, E. W.↗
NASA NTRS1973

Local skin friction coefficients and boundary layer profiles obtained in flight from the XB-70-1 airplane at Mach numbers up to 2.5

Boundary-layer and local friction data for Mach numbers up to 2.5 and Reynolds numbers up to 3.6 x 10 to the 8th power were obtained in flight at three locations on the XB-70-1 airplane: the lower forward fuselage centerline (nose), the upper rear fuselage centerline, and the upper surface of the right wing. Local skin friction coefficients were derived at each location by using (1) a skin friction force balance, (2) a Preston probe, and (3) an adaptation of Clauser's method which derives skin friction from the rake velocity profile. These three techniques provided consistent results that agreed well with the von Karman-Schoenherr relationship for flow conditions that are quasi-two-dimensional. At the lower angles of attack, the nose-boom and flow-direction vanes are believed to have caused the momentum thickness at the nose to be larger than at the higher angles of attack. The boundary-layer data and local skin friction coefficients are tabulated. The wind-tunnel-model surface-pressure distribution ahead of the three locations and the flight surface-pressure distribution ahead of the wing location are included.

Fisher, D. F.↗
NASA NTRS1973

Application of the method local potential to the analysis of turbulent shear flows

It has been found that, in general, the local potential cannot be employed to obtain approximate solutions for the various correlations of turbulent properties which appear in the time averaged form of the conservation equations. Although the method of local potential is equivalent to the Galerkin method when the self-consistent condition is applied, the local potential can also be applied as an iterative algorithm in place of using the selfconsistent condition. This procedure offers an alternative to the Galerkin method and may be useful in obtaining approximate solutions for the total turbulent velocity. In addition, for certain simple turbulent shear flows the iterative algorithm may permit approximate, but non-empirical, solutions by modeling only the mean velocity and the Reynolds stress.

Reed, T. D.↗
NASA NTRS1973

Vibration and local edge buckling of thermally stressed, wedge airfoil cantilever wings.

The local edge buckling phenomena that can occur along the heated thin edge of a wedge shape airfoil is calculated. Qualitative comparison (qualitative only because the experimental temperature distribution was not measured) is made to the experimentally observed phenomena. The consequences of the assumption of identical vibration and buckling modes is shown by a comparison of results with and without the assumption of mode identity. Computer plots of the elastic surface as local buckling develops with increasing temperature are shown. The calculated, fully developed local edge buckling is compared to a photograph of a fully developed buckling as observed in the laboratory.

Bailey, C. D.↗
NASA NTRS1974

Buckling of conical shell with local imperfections

Small geometric imperfections in thin-walled shell structures can cause large reductions in buckling strength. Most imperfections found in structures are neither axisymmetric nor have the shape of buckling modes but rather occur locally. This report presents the results of a study of the effect of local imperfections on the critical buckling load of a specific axially compressed thin-walled conical shell. The buckling calculations were performed by using a two-dimensional shell analysis program referred to as the STAGS (Structural Analysis of General Shells) computer code, which has no axisymmetry restrictions. Results show that the buckling load found from a bifurcation buckling analysis is highly dependent on the circumferential arc length of the imperfection type studied. As the circumferential arc length of the imperfection is increased, a reduction of up to 50 percent of the critical load of the perfect shell can occur. The buckling load of the cone with an axisymmetric imperfections is nearly equal to the buckling load of imperfections which extended 60 deg or more around the circumference, but would give a highly conservative estimate of the buckling load of a shell with an imperfection of a more local nature.

Cooper, P. A.↗
NASA NTRS1977

A multilevel approach for minimum weight structural design including local and system buckling constraints

A rational multilevel approach for minimum weight structural design of truss and wing structures including local and system buckling constraints is presented. Overall proportioning of the structure is achieved at the system level subject to strength, displacement and system buckling constraints, while the detailed component designs are carried out separately at the component level satisfying local buckling constraints. Total structural weight is taken to be the objective function at the system level while employing the change in the equivalent system stiffness of the component as the component level objective function. Finite element analysis is used to predict static response while system buckling behavior is handled by incorporating a geometric stiffness matrix capability. Buckling load factors and the corresponding mode shapes are obtained by solving the eigenvalue problem associated with the assembled elastic stiffness and geometric stiffness matrices for the structural system. At the component level various local buckling failure modes are guarded against using semi-empirical formulas. Mathematical programming techniques are employed at both the system and component level.

Schmit, L. A., Jr.↗
NASA NTRS1978

A theory of local and global processes which affect solar wind electrons. 1: The origin of typical 1 AU velocity distribution functions: Steady state theory

A detailed first principle kinetic theory for electrons which is neither a classical fluid treatment nor an exospheric calculation is presented. This theory illustrates the global and local properties of the solar wind expansion that shape the observed features of the electron distribution function, such as its bifurcation, its skewness and the differential temperatures of the thermal and suprathermal subpopulations. Coulomb collisions are substantial mediators of the interplanetary electron velocity distribution function and they place a zone for a bifurcation of the electron distribution function deep in the corona. The local cause and effect precept which permeates the physics of denser media is modified for electrons in the solar wind. The local form of transport laws and equations of state which apply to collision dominated plasmas are replaced with global relations that explicitly depend on the relative position of the observer to the boundaries of the system.

Scudder, J. D.↗
NASA NTRS1978

Localization of non-stationary sources of electromagnetic radiation with the aid of phasometry

The possibility of localizing sources of electromagnetic radiation by measurement of the time of passage of the radiation or the measurement of its phase at various points of cosmic space, at which are located satellite observatories is examined. Algorithms are proposed for localization using two, three, and four astronomical observatories. The precision of the localization and several partial results of practical significance are deduced.

Mersov, G. A.↗
NASA NTRS1978

Ultraviolet observations of cool stars. VII - Local interstellar hydrogen and deuterium Lyman-alpha

High-resolution Copernicus spectra of Epsilon Eri and Epsilon Ind containing interstellar hydrogen and deuterium L-alpha absorption lines are presented, reduced, and analyzed. Parameters of the interstellar hydrogen and deuterium toward these two stars are derived independently, without any assumptions concerning the D/H ratio. Copernicus spectra of Alpha Aur and Alpha Cen A are reanalyzed, and limits on the D/H number-density ratio consistent with the data for all four stars are considered. A comparison of the present estimates for the parameters of the local interstellar medium with those obtained by other techniques shows that there is no compelling evidence for significant variations in the hydrogen density and D/H ratio in the local interstellar medium. On this basis the hypothesis of an approaching local interstellar cloud proposed by Vidal-Madjar et al. (1978) is rejected

Mcclintock, W.↗
NASA NTRS1979

A theory of local and global processes which affect solar wind electrons. I - The origin of typical 1 AU velocity distribution functions - Steady state theory

A kinetic theory for the velocity distribution of solar wind electrons which illustrates the global and local properties of the solar wind expansion is proposed. By means of the Boltzmann equation with the Krook collision operator accounting for Coulomb collisions, it is found that Coulomb collisions determine the population and shape of the electron distribution function in both the thermal and suprathermal energy regimes. For suprathermal electrons, the cumulative effects of Coulomb interactions are shown to take place on the scale of the heliosphere itself, whereas the Coulomb interactions of thermal electrons occur on a local scale near the point of observation (1 AU). The bifurcation of the electron distribution between thermal and suprathermal electrons is localized to the deep solar corona (1 to 10 solar radii).

Scudder, J. D.↗
NASA NTRS1979

The growth of aspherical structure in the universe - Is the Local Supercluster an unusual system

The growth and subsequent collapse of homogeneous ellipsoidal perturbations in a uniform expanding background is considered as a simple model for the formation of large-scale aspherical structures in the observed universe. Numerical calculations of the evolution of such perturbations turn out to be well described by an approximate analytic solution of the equations of motion, and simple relationships are found between the initial shape of a perturbation and its shape and kinematic properties at the time of collapse. Perturbations do not change their shape significantly until they reach a density contrast of order unity. As a result, structures with the kinematic properties of the Local Supercluster should form much more commonly in a low-density universe than in a flat universe. The homogeneity of the local Hubble flow, the motion of the Milky Way with respect to the microwave background, and the flattening of the Local Supercluster can be successfully accounted for by these models, provided that the initial perturbation is sufficiently flattened. Viable models are obtained only if the ratio of the lengths of the two smaller axes of the initial perturbation is at least 3:1 in an Einstein-de Sitter universe or at least 1.8:1 in a universe for which the density parameter (Omega) is of order 0.1, when the protocluster pancakes.

White, S. D. M.↗
NASA NTRS1980

long wavelength Pb(1-x)Sn(X)Se and Pb(1-x)Sn(x)Te diode lasers as local oscillators

A breadboard heterodyne receiver is described which was used to establish the characteristics of lead salt diode lasers pertinent to their use as local oscillators using laser devices operating in the 15-25 micrometer spectral region. Heterodyne detection efficiency is directly correlated with the transverse mode structure and emphasizes the necessity of stable lowest order mode operation for lasers when used as local oscillators. The results obtained indicate that the continued development of these lasers provide suitable local oscillators for a variety of applications.

Washwell, E. R.↗
NASA NTRS1980

Submillimeter local oscillators for heterodyne spectroscopy

The major technological innovations in continuous wave (CW) submillimeter sources which are specifically suitable for application as local oscillators in heterodyne systems are reviewed. A description of the various sources is given which underscores the general principles and operating features for each type of device. Particular emphasis is placed on CW optically pumped lasers, which have had a dramatic impact as widely available sources of narrow linewidth coherent radiation. The state-of-the-art is summarized for these lasers and performance data are presented for several local oscillator packages. Optically pumped lasers are then compared and contrasted with other competing sources such as backward wave oscillators, IMPATT diodes, and Josephson junctions. By comparing their advantages and limitations for use as local oscillators, the potential applications of these different sources are projected. The prospects for increased tunability, reliability, and scalability are briefly considered, and several novel techniques for generating partially tunable radiation using Schottky diode mixers or CW Raman lasers are highlighted.

Danielewicz, E. J., Jr.↗