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All sources NASA NTRS DOE OSTI

DOE OSTI2025

Shadow masks predictions in SPARC tokamak plasma-facing components using HEAT code and machine learning methods

Here, this work uses machine learning (ML) to complement HEAT (Heat flux Engineering Analysis Toolkit) by developing 3-D footprint surrogate models for fast and accurate heat load calculations in the divertor of the SPARC tokamak. The focus is on shadowed regions, or magnetic shadows, caused by the 3-D geometry of plasma-facing components (PFCs). ML classifiers are employed to create a surrogate model for HEAT generated shadow masks, predicting these shadow masks and divertor heat flux profiles based on a diverse range of equilibria and only the plasma current, safety factor(q95) at the edge, and magnetic flux angles as input parameters. The ultimate goal is to integrate the model for real-time control and future operational decisions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Shadow Molecular Dynamics and Atomic Cluster Expansions for Flexible Charge Models

Here, a shadow molecular dynamics scheme for flexible charge models is presented where the shadow Born–Oppenheimer potential is derived from a coarse-grained approximation of range-separated density functional theory. The interatomic potential, including the atomic electronegativities and the charge-independent short-range part of the potential and force terms, is modeled by the linear atomic cluster expansion (ACE), which provides a computationally efficient alternative to many machine learning methods. The shadow molecular dynamics scheme is based on extended Lagrangian (XL) Born–Oppenheimer molecular dynamics (BOMD). XL-BOMD provides stable dynamics while avoiding the costly computational overhead associated with solving an all-to-all system of equations, which normally is required to determine the relaxed electronic ground state prior to each force evaluation. To demonstrate the proposed shadow molecular dynamics scheme for flexible charge models using atomic cluster expansion, we emulate the dynamics generated from self-consistent charge density functional tight-binding (SCC-DFTB) theory using a second-order charge equilibration (QEq) model. The charge-independent potentials and electronegativities of the QEq model are trained for a supercell of uranium oxide (UO 2 ) and a molecular system of liquid water. The combined ACE+XL-QEq molecular dynamics simulations are stable over a wide range of temperatures both for the oxide and for the molecular systems and provide a precise sampling of the Born–Oppenheimer potential energy surfaces. Accurate ground Coulomb energies are produced by the ACE-based electronegativity model during an NVE simulation of UO 2 , predicted to be within 1 meV of those from SCC-DFTB on average during comparable simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Group-theoretic error mitigation enabled by classical shadows and symmetries

Abstract Estimating expectation values is a key subroutine in quantum algorithms. Near-term implementations face two major challenges: a limited number of samples required to learn a large collection of observables, and the accumulation of errors in devices without quantum error correction. To address these challenges simultaneously, we develop a quantum error-mitigation strategy called symmetry-adjusted classical shadows , by adjusting classical-shadow tomography according to how symmetries are corrupted by device errors. As a concrete example, we highlight global U(1) symmetry, which manifests in fermions as particle number and in spins as total magnetization, and illustrate their group-theoretic unification with respective classical-shadow protocols. We establish rigorous sampling bounds under readout errors obeying minimal assumptions, and perform numerical experiments with a more comprehensive model of gate-level errors derived from existing quantum processors. Our results reveal symmetry-adjusted classical shadows as a low-cost strategy to mitigate errors from noisy quantum experiments in the ubiquitous presence of symmetry.

Zhao, Andrew (ORCID:0000000202990277)↗

DOE OSTI2024

Classical shadows for quantum process tomography on near-term quantum computers

Quantum process tomography is a powerful tool for understanding quantum channels and characterizing the properties of quantum devices. Inspired by recent advances using classical shadows in quantum state tomography [H.-Y. Huang, R. Kueng, and J. Preskill, .], we have developed ShadowQPT, a classical shadow method for quantum process tomography. We introduce two related formulations with and without ancilla qubits. ShadowQPT stochastically reconstructs the Choi matrix of the device allowing for an classical evaluation of the device on arbitrary inputs with respect to arbitrary outputs. Using shadows, we then show how to compute overlaps, generate all k -weight reduced processes, and perform reconstruction via Hamiltonian learning. These latter two tasks are efficient for large systems as the number of quantum measurements needed scales only logarithmically with the number of qubits. A number of additional approximations and improvements are developed, including the use of a pair-factorized Clifford shadow and a series of postprocessing techniques that significantly enhance the accuracy for recovering the quantum channel. We have implemented ShadowQPT using both Pauli and Clifford measurements on the IonQ trapped ion quantum computer for quantum processes up to n = 4 qubits, and we achieved good performance. Published by the American Physical Society 2024

Levy, Ryan (ORCID:0000000349527156)↗

DOE OSTI2023

Shadow molecular dynamics and atomic cluster expansions for flexible charge models

A shadow molecular dynamics scheme for flexible charge models is presented, where the shadow Born-Oppenheimer potential is derived from a coarse-grained approximation of range-separated density functional theory. The interatomic potential, including the atomic electronegativities and the charge-independent short-range part of the potential and force terms, are modeled by the linear atomic cluster expansion (ACE), which provides a computationally efficient alternative to many machine learning methods. The shadow molecular dynamics scheme is based on extended Lagrangian (XL) Born-Oppenheimer molecular dynamics (BOMD) [Eur. Phys. J. B 94, 164 (2021)]. XL-BOMD provides a stable dynamics, while avoiding the costly computational overhead associated with solving an all-to-all system of equations, which normally is required to determine the relaxed electronic ground state prior to each force evaluation. To demonstrate the proposed shadow molecular dynamics scheme for flexible charge models using the atomic cluster expansion, we emulate the dynamics generated from self-consistent charge density functional tight-binding (SCC-DFTB) theory using a second-order charge equilibration (QEq) model. The charge-independent potentials and electronegativities of the QEq model are trained for a supercell of uranium oxide (UO2) and a molecular system of liquid water. The combined ACE + XL-QEq dynamics are stable over a wide range of temperatures both for the oxide and the molecular systems, and provide a precise sampling of the Born-Oppenheimer potential energy surfaces. Accurate ground Coulomb energies are produced by the ACE-based electronegativity model during an NVE simulation of UO 2 , predicted to be within 1 meV of those from SCC-DFTB on average during comparable simulations.

74 ATOMIC AND MOLECULAR PHYSICS↗

NASA NTRS1972

Crater shadowing effects at low sun angles, part Q

A comparison of Apollo 15 lunar surface photographs taken at low sun-elevation angles with photographs of an experimentally cratered surface at low lighting angles is discussed. The comparison revealed marked similarities, the most significant being that the smallest craters in both sets of photographs are filled with shadows that form beadlike chains and clusters. It was also found that the fraction of area covered by shadows within the smaller craters is so large that 30 to 40 percent of the total field of view is covered by shadow. It is concluded that: the fraction of area covered by resolvable craters, which should be somewhat less than the fraction of area covered by shadow for photographs with very low sun elevation angles, may be calculated using the steady state crater frequency distribution for craters from 20 to 100 m in diameter and then adding the area covered by larger craters for which the crater frequency distribution has the form of the crater-production frequency distribution.

Moore, H. J.↗

NASA NTRS1972

The shadow band phenomenon.

Observation of shadow bands during the solar eclipse of Mar. 7, 1970. Data were gathered by recording onto magnetic tape of the output from six collimated photocells whose spectral responses ranged from the ultraviolet to the infrared, and by visual and mechanical measurement of the orientation and motion of the bands. The recorded data were later processed using the output from a frequency spectrum analyzer. Most of the energy of the shadow bands ranges between 1 and 25 Hz, and appears not unlike plots of scintillation spectra. The onset, amplitude, and duration of the shadow bands seem to be spectrally related to the limb darkening of the sun's photosphere. Other results of the experiment conclusively indicate that the shadow band phenomenon is a manifestation of atmospheric turbulence in the form of air packets of different density from that of their environment (density schlieren), made visible by the light from the crescent sun.

Quann, J. J.↗

NASA NTRS1972

An analytical and experimental evaluation of shadow shields and their support members.

Review of the major results of an analytical and experimental program aimed at determining the potential effectiveness of shadow shields in minimizing radiant heat transfer into cryogenic propellant tanks on long-duration interplanetary missions, taking into account the thermal interaction between shields and their support structures. Analytical procedures are developed and applied that include the strut-shield interaction in predicting shadow shield performance. The results of experimental studies of the effects of configuration variables on the performance of a scale model of a shadow shield system are presented. The experimental results are used to verify the validity of analytical predictions. The results obtained show that: (1) shadow shields can be effective in reducing the heat transfer into cryogenic propellant tanks, and (2) the conductive heat transfer through supports can be reduced by selective surface coatings.

Stochl, R. J.↗

NASA NTRS1976

Magnetic shadowing of charged particles by an extended surface

The problem of particle shadowing by the lunar surface is examined. Shadow zones are obtained analytically for small-aperture detectors on an infinite flat surface and are shown to be in good agreement with those obtained by numerical trajectory tracing. The shadow zones cover about half of all possible external field orientations for a vertical detector, which may result in serious underestimations of the frequency of observation of a particular plasma region. Shadowing may cause wide variations between observed and actual pitch angle distributions even in the case of multiple- or large-aperture detectors. Since the particle flux can be considered approximately isotropic only for magnetic fields within 35 deg of the surface normal, the electron flux to the surface may be overestimated in current balance calculations ignoring the magnetic field direction. In addition, photoelectrons may be returned to the surface by the magnetic field.

Reiff, P. H.↗

NASA NTRS1984

Self-shadowing effects on the thermal-structural response of orbiting trusses

An investigation of self-shadowing effects on the thermal-structural response of orbiting trusses is described. The shadowing, heating, thermal and structural analyses are summarized. The significance of shadowing on the thermal-structural behavior of a single member and a beam constructed from truss members is described. For the trusses considered, the study shows that member self-shadowing effects significantly alter the behavior and must be included to predict the thermal-structural response correctly.

Thornton, E. A.↗

NASA NTRS1985

The shadow world of superstring theories

Some possible astrophysical and cosmological implications of 'shadow matter', a form of matter which only interacts gravitationally with ordinary matter and which may or may not be identical in its properties to ordinary matter, are considered. The possible existence, amount, and location of shadow matter in the solar system are discussed, and the significance of shadow matter for primordial nucleosynthesis, macroscopic asymmetry, baryogenesis, double-bubble inflation, and asymmetric microphysics is addressed. Massive shadow states are discussed.

Kolb, E. W.↗

NASA NTRS1988

Curvature of blended rolled edge reflectors at the shadow boundary contour

A technique is advanced for computing the radius of curvature of blended rolled edge reflector surfaces at the shadow boundary, in the plane perpendicular to the shadow boundary contour. This curvature must be known in order to compute the spurious endpoint contributions in the physical optics (PO) solution for the scattering from reflectors with rolled edges. The technique is applicable to reflectors with radially-defined rim-shapes and rolled edge terminations. The radius of curvature for several basic reflector systems is computed, and it is shown that this curvature can vary greatly along the shadow boundary contour. Finally, the total PO field in the target zone of a sample compact range system is computed and corrected using the shadow boundary radius of curvature, obtained using the technique. It is shown that the fields obtained are a better approximation to the true scattered fields.

Ellingson, S. W.↗

NASA NTRS1990

Scattering of sound by atmospheric turbulence predictions in a refractive shadow zone

According to ray theory, regions exist in an upward refracting atmosphere where no sound should be present. Experiments show, however, that appreciable sound levels penetrate these so-called shadow zones. Two mechanisms contribute to sound in the shadow zone: diffraction and turbulent scattering of sound. Diffractive effects can be pronounced at lower frequencies but are small at high frequencies. In the short wavelength limit, then, scattering due to turbulence should be the predominant mechanism involved in producing the sound levels measured in shadow zones. No existing analytical method includes turbulence effects in the prediction of sound pressure levels in upward refractive shadow zones. In order to obtain quantitative average sound pressure level predictions, a numerical simulation of the effect of atmospheric turbulence on sound propagation is performed. The simulation is based on scattering from randomly distributed scattering centers ('turbules'). Sound pressure levels are computed for many realizations of a turbulent atmosphere. Predictions from the numerical simulation are compared with existing theories and experimental data.

Mcbride, Walton E.↗

NASA NTRS1990

Functional relation among subpixel canopy cover, ground shadow, and illuminated ground at large sampling scales

The functional relation among subpixel canopy cover, illuminated soil, and shadowed soil, which progressively develops with increasing pixel size, is investigated for Poisson distributed plants using a geometric canopy simulation model. An analytical relation among cover components is shown to be applicable when the scale of the pixel is much larger than the scale of the plant and ground shadow. The analysis is facilitated through the use of a nondimensional solar-geometric similarity parameter, eta, equal to the ratio of the area of one plant canopy to its associated ground shadow area, as viewed from nadir. A sampling scale ratio, defined as the ratio of the area of the pixel to the mean area of a single plant shadow, is tested as a quantitative criterion to evaluate when the functional relation among subpixel components occurs. The results of a remote sensing experiment over a natural conifer landscape provide preliminary confirmation of the theoretical analysis.

Jasinski, Michael F.↗

NASA NTRS1992

Interpreting asteroid photometry and polarimetry using a model of shadowing and coherent backscattering

The shadow-hiding models for the opposition effect and negative polarization of atmosphereless solar system bodies do not explain some experimental findings, such as the enhancing opposition effect and negative polarization with decreasing particle size down to wavelength scales. The enhancement for laboratory photometric and polarimetric data on artificial glass samples with different particle size is shown. These results are in agreement with the so-called coherent backscattering or interference mechanism proposed for the interpretation of the opposition effect and negative polarization. Two different approaches for describing the opposition effect and negative polarization produced by the shadow-interference mechanism were developed. One is based on exact electromagnetic solutions for simple scattering systems that include dipole-dipole and dipole-surface coupling; The other is based on a point-scatterer approximation characterized by model photometric and polarimetric phase functions, and the mutual shadowing effect is derived using virtual volumes associated with the point-scatterers. Both approaches yield qualitatively similar results, although neither is entirely satisfactory. We regard them as prototypes for a future unified model of shadowing and coherent backscattering. The sharp opposition effect of 44 Nysa and the asteroid albedo-polarization rule are here explained using the point-scatterer approach.

Shkuratov, Y. G.↗

NASA NTRS1993

The X-ray shadow of the high-latitude molecular cloud MBM 12

ROSAT XRT/PSPC observations show a deep shadow cast by the high-latitude molecular cloud MBM 12 in the 3/4 keV diffuse background. Modeling of the shadow implies that less than 20 percent of the typical high-latitude 3/4 keV diffuse background intensity is emitted in front of the cloud (D = 60-70 pc). A weaker shadow consistent with the lower optical depth at higher energies was observed in the 1.5 keV band. Since little shadowing was seen in the 1/4 keV band, this observation places strong constraints on the amount of 0.5-2 keV emission that is intermixed with the source of the observed 1/4 keV flux.

Snowden, S. L.↗

NASA NTRS1993

Beamforming in an acoustic shadow

The sound field deep within an acoustic shadow region is less well understood than that outside the shadow region. Signal levels are substantially lower within the shadow, but beamforming difficulties arise for other reasons such as loss of spatial coherence. Based on analysis of JAPE-91 data, and other data, three types of characteristic signals within acoustic shadow regions are identified. These signal types may correspond to different, intermittent signal propagation conditions. Detection and classification algorithms might take advantage of the signal characteristics. Frequency coherence is also discussed. The extent of coherence across frequencies is shown to be limited, causing difficulties for source classification based on harmonic amplitude relationships. Discussions emphasize short-term characteristics on the order of one second. A video presentation on frequency coherence shows the similarity, in the presence of atmospheric turbulence, between the received signal from a stable set of harmonics generated by a loudspeaker and that received from a helicopter hovering behind a hill.

Havelock, David↗

NASA NTRS1994

A uniform geometrical optics and an extended uniform geometrical theory of diffraction for evaluating high frequency EM fields near smooth caustics and composite shadow boundaries

A uniform geometrical optics (UGO) and an extended uniform geometrical theory of diffraction (EUTD) are developed for evaluating high frequency electromagnetic (EM) fields within transition regions associated with a two and three dimensional smooth caustic of reflected rays and a composite shadow boundary formed by the caustic termination or the confluence of the caustic with the reflection shadow boundary (RSB). The UGO is a uniform version of the classic geometrical optics (GO). It retains the simple ray optical expressions of classic GO and employs a new set of uniform reflection coefficients. The UGO also includes a uniform version of the complex GO ray field that exists on the dark side of the smooth caustic. The EUTD is an extension of the classic uniform geometrical theory of diffraction (UTD) and accounts for the non-ray optical behavior of the UGO reflected field near caustics by using a two-variable transition function in the expressions for the edge diffraction coefficients. It also uniformly recovers the classic UTD behavior of the edge diffracted field outside the composite shadow boundary transition region. The approach employed for constructing the UGO/EUTD solution is based on a spatial domain physical optics (PO) radiation integral representation for the fields which is then reduced using uniform asymptotic procedures. The UGO/EUTD analysis is also employed to investigate the far-zone RCS problem of plane wave scattering from two and three dimensional polynomial defined surfaces, and uniform reflection, zero-curvature, and edge diffraction coefficients are derived. Numerical results for the scattering and diffraction from cubic and fourth order polynomial strips are also shown and the UGO/EUTD solution is validated by comparison to an independent moment method (MM) solution. The UGO/EUTD solution is also compared with the classic GO/UTD solution. The failure of the classic techniques near caustics and composite shadow boundaries is clearly demonstrated and it is shown that the UGO/EUTD results remain valid and uniformly reduce to the classic results away from the transition regions. Mathematical details on the asymptotic properties and efficient numerical evaluation of the canonical functions involved in the UGO/EUTD expressions are also provided.

Constantinides, E. D.↗