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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
NASA NTRS2003

An overview of the pointing control system for NASA's Space Infra-red Telescope Facility (SIRTF)

This paper discusses the pointing control system for NASA's Space Infra-Red Telescope Facility (SIRTF). After an introduction to the SIRTF mission and telescope, an overview is given of the pointing control hardware, pointing control architecture, pointing requirements and capability, attitude constraints and commanding, attitude observers and required calibrations.

pointing control attitude estimation calibration↗
NASA NTRS2015

Automated Point Cloud Correspondence Detection for Underwater Mapping Using AUVs

An algorithm for automating correspondence detection between point clouds composed of multibeam sonar data is presented. This allows accurate initialization for point cloud alignment techniques even in cases where accurate inertial navigation is not available, such as iceberg profiling or vehicles with low-grade inertial navigation systems. Techniques from computer vision literature are used to extract, label, and match keypoints between "pseudo-images" generated from these point clouds. Image matches are refined using RANSAC and information about the vehicle trajectory. The resulting correspondences can be used to initialize an iterative closest point (ICP) registration algorithm to estimate accumulated navigation error and aid in the creation of accurate, self-consistent maps. The results presented use multibeam sonar data obtained from multiple overlapping passes of an underwater canyon in Monterey Bay, California. Using strict matching criteria, the method detects 23 between-swath correspondence events in a set of 155 pseudo-images with zero false positives. Using less conservative matching criteria doubles the number of matches but introduces several false positive matches as well. Heuristics based on known vehicle trajectory information are used to eliminate these.

Sonar↗
NASA NTRSDate not supplied

Automatic Generation of Guard-Stable Floating-Point Code

In floating-point programs, test instability occurs when the control flow of a conditional statement diverges from its ideal execution under real arithmetic. This phenomenon is caused by the presence of round-off errors in floating-point computations. Writing programs that correctly handle test instability often require expertise on finite precision computations and rounding errors. This paper presents a fully automatic tool chain that generates and formally verifies a test-stable floating-point C program from its functional specification in real arithmetic. The generated program is instrumented to soundly detect when unstable tests may occur and, in these cases, to issue a warning. The proposed approach combines the PRECiSA floating-point static analyzer, the Frama-C software verification suite, and the PVS theorem prover.

Floating-Point Arithmetic↗
NASA NTRSDate not supplied

A Provably Correct Floating-Point Implementation of Well Clear Avionics Concepts

The NASA DAIDALUS library provides formal definitions for Detect-and-Avoid avionics concepts such as when an aircraft is well-clear with respect to the surrounding air traffic, i.e., it does not operate in such proximity to create a collision hazard. While several properties are proven correct for DAIDALUS assuming ideal real number arithmetic, an actual implementation that uses floating-point numbers may behave unexpectedly because of round-off errors and run-time exceptions. This paper presents an experience report on the application of a formal methods toolchain to extract and verify floating-point C code from a real-valued specification of the well-clear module of DAIDALUS. This toolchain comprises the PVS theorem prover, the PRECiSA floating-point analyzer and code generator, and the Frama-C analysis suite. The generated code is automatically instrumented to detect when the control flow of the floating-point program may diverge from the ideal real number specification, and it is annotated with contracts that state the maximum accumulated round-off error. The absence of overflows is also formally verified for the generated code. In order to apply the toolchain to an industrial case study such as DAIDALUS, a formally verified pre-processing of the input specification is performed, which includes a program slicing and several semantic-preserving simplifications.

Program verification↗
DOE OSTI2023

Simulation of Reverse Osmosis Membrane Compaction Using Material Point Method (MPM)

Access to fresh drinking water in the future requires effective management of industrial wastewater and water purification from available resources. In this study, we present the simulation methodology and the analysis of a Reverse Osmosis (RO) membrane under various pressure conditions using the Material Point Method (MPM). In contrast to other numerical methods, MPM solves the continuum governing equations on material points in a Lagrangian framework. The method does not require a grid connecting the material points hence making it suitable to simulate large deformations during membrane compaction. The time integration is carried out using the explicit Euler method, while the spatial discretization is performed using linear or cubic-spline shape functions. A series of planar images containing detailed pore structures obtained from X-ray tomography experiments is converted to a three-dimensional collection of material points to simulate the membrane. Compressive loads are applied to the top layer of the membrane to simulate the experiments. The membrane deformation and pore size distribution before and after load application are reported and compared with the experimental measurements. The presentation discusses the numerical methods used, the performance of the solver on high-performance computing machines, and the results of membrane compaction in detail.

ENGINEERING,MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Discovering the Most Severe K-Point Failure Based on Reinforcement Learning: Preprint

Smart devices are essential to ensure the stability of the power grid and resilience to intermittent energy production. However, smart devices can also be the target of cyber adversaries that may exploit false data injection attacks (FDIAs) to induce unstable grid conditions. A practical consideration of FDIA mitigation approaches is addressed here: given a finite available budget, for which smart device should cyber-threat mitigation be deployed first? In this work, this question is answered by identifying the so-called most-sensitive devices, i.e., the devices that, if compromised, can let an adversary induce the most serious grid instabilities. The method proposed utilizes an adversarial reinforcement learning (RL) framework to identify the k-mostsensitive smart devices (here, smart inverters). The adversarial agent can tamper with the compromised inverters' active and reactive operating power setup points, with the goal of maximizing voltage deviations. Numerical results show that the proposed RL method finds the optimal attack scenarios for 1-point failure and the near-optimal solution for the 2-point case. Additionally, the proposed RL method achieves an 8.8 speed-up ratio in running time compared to the brute force method for the 2-point case.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

On rational points in CFT moduli spaces

Motivated by the search for rational points in moduli spaces of two-dimensional conformal field theories, we investigate how points with enhanced symmetry algebras are distributed there. We first study the bosonic sigma-model with S 1 target space in detail and uncover hitherto unknown features. We find for instance that the vanishing of the twist gap, though true for the S 1 example, does not automatically follow from enhanced symmetry points being dense in the moduli space. We then explore the supersymmetric sigma-model on K3 by perturbing away from the torus orbifold locus. Though we do not reach a definite conclusion on the distribution of enhanced symmetry points in the K3 moduli space, we make several observations on how chiral currents can emerge and disappear under conformal perturbation theory.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Five-point superluminality bounds

We investigate how the speed of propagation of physical excitations is encoded in the coefficients of five-point interactions. This leads to a superluminality bound on scalar five-point interactions, which we present here for the first time. To substantiate our result, we also consider the case of four-point interactions for which bounds from S-matrix sum rules exist and show that these are parametrically equivalent to the bounds obtained within our analysis. Finally, we extend the discussion to a class of higher-point interactions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Algebraic branch points at all loop orders from positive kinematics and wall crossing

A bstract There is a remarkable connection between the boundary structure of the positive kinematic region and branch points of integrated amplitudes in planar $$ \mathcal{N} $$ N = 4 SYM. A long-standing question has been precisely how algebraic branch points emerge from this picture. We use wall crossing and scattering diagrams to systematically study the boundary structure of the positive kinematic regions associated with MHV amplitudes. The notion of asymptotic chambers in the scattering diagram naturally explains the appearance of algebraic branch points. Furthermore, the scattering diagram construction also motivates a new coordinate system for kinematic space that rationalizes the relations between algebraic letters in the symbol alphabet. As a direct application, we conjecture a complete list of all algebraic letters that could appear in the symbol alphabet of the 8-point MHV amplitude.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Recursion relations for 5-point conformal blocks

We consider 5-point functions in conformal field theories in d2 dimensions. Using weight-shifting operators, we derive recursion relations which allow for the computation of arbitrary conformal blocks appearing in 5-point functions of scalar operators, reducing them to a linear combination of blocks with scalars exchanged. We additionally derive recursion relations for the conformal blocks which appear when one of the external operators in the 5-point function has spin 1 or 2. Our results allow us to formulate positivity constraints using 5-point functions which describe the expectation value of the energy operator in bilocal states created by two scalars.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Migration energy barriers and diffusion anisotropy of point defects on tungsten surfaces

We report tungsten is one of the most promising candidates for plasma-facing materials in future fusion devices, owing to its high performance under extreme irradiation conditions. However, irradiation-induced surface morphology varies significantly, depending on the irradiation type, fluence, and flux. Therefore, it is critical to examine the dynamics of point defects on tungsten (W) surfaces to understand how irradiation affects surface morphology. In this study, we employ the Self-Evolving Atomistic Kinetic Monte Carlo (SEAKMC) method to search for potential migration paths of point defects on W (1 0 0), (1 1 0) and (1 1 1) surfaces. The first-principles calculations are then used to accurately determine the migration energy barriers. The obtained paths and barriers are incorporated into a kinetic Monte Carlo (KMC) model to determine trajectories and diffusivities, which are described by diffusion tensors to demonstrate their anisotropic features. Multiple diffusion mechanisms have been identified on different surfaces, with various anisotropy factors. Particularly, point defects on the W (1 1 0) surface have the highest diffusivities, with anisotropy factors independent of temperatures. In comparison, the anisotropy of the W (1 0 0) surface decreases as temperature increases, while the W (1 1 1) surface is isotropic for point defects. This study provides insights into defect transport properties on different surfaces, which are essential for understanding the early stages of irradiation-induced microstructural evolutions and surface morphology of tungsten.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Discrete stochastic model of point defect-dislocation interaction for simulating dislocation climb

Dislocation climb is an important high temperature process in metals plasticity, responsible for the phenomena such as creep, swelling, or hardening. Climb is defined by the ability of dislocations to leave their original glide plane by interacting with point defects. As such, dislocation climb is controlled by point defect diffusion/absorption/emission, all of which involve thermal activation. The existing thermodynamically consistent models for climb are generally formulated in a continuum framework, through the definition of effective defect fluxes and climb propensities in response to thermodynamic driving forces. However, the point-wise discrete nature of vacancies (and/or self-interstitials) confers a highly discrete nature to the climb dynamics, which is also strongly affected by elastic forces. The combination of discreteness, thermal activation, and elasticity makes this process too challenging for direct atomistic methods such as molecular dynamics. Here we develop a kinetic Monte Carlo model that captures vacancy generation and transport kinetics acting in conjuction with the evolving elastic fields provided by discrete dislocation dynamics simulations. The two models are coupled via the applied stresses and stress gradients generated by dislocation structures at vacancy locations. Our simulations reveal two surprising results. First that climb is dominated by vacancy emission even when the background vacancy concentration is much higher than the equilibrium one. And, second, that climb velocities might be much faster than otherwise believed when one uses the classical theories of climb. These effects are due to the locality of vacancy-dislocation processes, which are not captured in classical treatments that assume smooth vacancy fluxes and homogeneous concentrations. We apply the method to study elementary climb processes in body-centered cubic iron and furnish climb mobility functions to be used in parametric dislocation dynamics and/or crystal plasticity simulations. Here, we apply the technique to study non-conservative plastic bypass of spherical precipitates by edge dislocations and point out the differences between our discrete approach and existing continuum formulations.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Fabrication methods for high reflectance dielectric-metal point contact rear mirror for optoelectronic devices

The patterned dielectric back contact (PDBC) structure can be used to form a point-contact architecture that features a dielectric spacer with spatially distributed, reduced-area metal point contacts between the semiconductor back not recognized contact layer and the metal back contact. In this structure, the dielectric-metal region provides higher reflectance and is electrically insulating. Reduced-area metal point contacts provide electrical conduction for the back contact but typically have lower reflectance. The fabrication methods discussed in this article were developed for thermophotovoltaic cells, but they apply to any III-V optoelectronic device requiring the use of a conductive and highly reflective back contact. Patterned dielectric back contacts may be used for enhanced sub-bandgap reflectance, for enhanced photon recycling near the bandgap energy, or both depending on the optoelectronic application. The following fabrication methods are discussed in the article: PDBC fabrication procedures for spin-on dielectrics and commonly evaporated dielectrics to form the spacer layer; methods to selectively etch a parasitically absorbing back contact layer using metal point contacts as an etch mask; methods incorporating a dielectric etch through different process techniques such as reactive ion and wet etching.

14 SOLAR ENERGY↗
DOE OSTI2025

Equilibrium expectations for non-Gaussian fluctuations near a QCD critical point

With the highly anticipated results from the Beam Energy Scan II program at RHIC being recently revealed, an understanding of particle-number fluctuations and their significance as a potential signature of a possible QCD critical point is crucial. Early works that embarked on this endeavor sought to estimate the fluctuations due to the presence of a critical point assuming they stay in equilibrium. From these results came the proposal to focus efforts on higher, non-Gaussian, moments of the event-by-event distributions, in particular of the number of protons. These non-Gaussian moments are especially sensitive to critical fluctuations, as their magnitudes are proportional to high powers of the critical correlation length. As the equation of state provides key input for hydrodynamical simulations of heavy-ion collisions, we estimate equilibrium fluctuations from the BEST equation of state (EoS) that includes critical features from the 3D Ising Model. In particular, the proton factorial cumulants and their dependence on non-universal mapping parameters is investigated within the BEST EoS. Furthermore, the correlation length, as a central quantity for the assessment of fluctuations in the vicinity of a critical point, is also calculated in a consistent manner with the scaling equation of state. An understanding of the equilibrium estimates of proton factorial cumulants will be useful for further comparison to estimates of out-of-equilibrium fluctuations in order to determine the magnitude of the observable fluctuations to be expected in heavyion collision experiments, in which the time spent near a critical point is short.

Karthein, Jamie M. [Massachusetts Institute of Tec↗
DOE OSTI2022

An optimally tuned range-separated hybrid starting point for ab initio GW plus Bethe–Salpeter equation calculations of molecules

The ab initio GW plus Bethe–Salpeter equation (GW-BSE, where G is the one particle Green's function and W is the screened Coulomb interaction) approach has emerged as a leading method for predicting excitations in both solids and molecules with a predictive power contingent upon several factors. Among these factors are the (1) generalized Kohn–Sham eigensystem used to construct the GW self-energy and to solve the BSE and (2) the efficacy and suitability of the Tamm–Dancoff approximation. Here, we present a detailed benchmark study of low-lying singlet excitations from a generalized Kohn–Sham (gKS) starting point based on an optimally tuned range-separated hybrid (OTRSH) functional. We show that the use of this gKS starting point with one-shot G0W0 and G0W0-BSE leads to the lowest mean absolute errors (MAEs) and mean signed errors (MSEs), with respect to high-accuracy reference values, demonstrated in the literature thus far for the ionization potentials of the GW100 benchmark set and for low-lying neutral excitations of Thiel’s set molecules in the gas phase, without the need for self-consistency. The MSEs and MAEs of one-shot G0W0-BSE@OTRSH excitation energies are comparable to or lower than those obtained with other functional starting points after self-consistency. Additionally, we compare these results with linear-response time-dependent density functional theory (TDDFT) calculations and find GW-BSE to be superior to TDDFT when calculations are based on the same exchange-correlation functional. This work demonstrates tuned range-separated hybrids used in combination with GW and GW-BSE can greatly suppress starting point dependence for molecules, leading to accuracy similar to that for higher-order wavefunction-based theories for molecules without the need for costlier iterations to self-consistency.

McKeon, Caroline A. (ORCID:0000000217373503)↗
DOE OSTI2023

Melting curves of ice polymorphs in the vicinity of the liquid–liquid critical point

The possible existence of a liquid–liquid critical point in deeply supercooled water has been a subject of debate due to the challenges associated with providing definitive experimental evidence. The pioneering work by Mishima and Stanley [Nature 392, 164–168 (1998)] sought to shed light on this problem by studying the melting curves of different ice polymorphs and their metastable continuation in the vicinity of the expected liquid–liquid transition and its associated critical point. Based on the continuous or discontinuous changes in the slope of the melting curves, Mishima [Phys. Rev. Lett. 85, 334 (2000)] suggested that the liquid–liquid critical point lies between the melting curves of ice III and ice V. Herein we explore this conjecture using molecular dynamics simulations with a machine learning model based on ab initio quantum-mechanical calculations. We study the melting curves of ices III, IV, V, VI, and XIII and find that all of them are supercritical and do not intersect the liquid–liquid transition locus. We also find a pronounced, yet continuous, change in the slope of the melting lines upon crossing of the liquid locus of maximum compressibility. Finally, we analyze the literature in light of our findings and conclude that the scenario in which the melting curves are supercritical is favored by the most recent computational and experimental evidence. Although the preponderance of evidence is consistent with the existence of a second critical point in water, the behavior of ice polymorph melting lines does not provide strong evidence in support of this viewpoint, according to our calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Simulations of the churning mode: Toroidally symmetric plasma convection and turbulence around the X-points in a snowflake divertor

Using a reduced MHD model, extended to include field-aligned thermal conduction, we present numerical simulations of the churning mode (CM): a toroidally symmetric, non-linear plasma vortex in the vicinity of the null points in a snowflake (SF) divertor [D. D. Ryutov et al., Phys. Scr. 89, 088002 (2014)]. Simulations are carried out across a range of inter-null separations, d xx ⁠, and inter-null orientations, θ⁠, primarily in conditions relevant to the MAST-U tokamak. We find that, when d xx is small, the CM induces additional transport across the X-points when β pm ≳8%, where β pm is the ratio of the plasma pressure in the null region to poloidal magnetic pressure at the midplane. This transport also increases approximately linearly as d xx is reduced. A diffusive model of this transport is shown to predict the total transport across the null points, where diffusion coefficients of up to ∼ 10 2 m 2 s −1 centered on a small region around the X-points are used. However, the CM also results in significant changes to the flux surfaces in the null region, which is not captured by this diffusive model. The changes in magnetic geometry mean the fractional exhaust power delivered to each divertor leg is highly sensitive to β pm ⁠, d xx ⁠, and θ⁠. For small values of θ⁠, the CM can induce a change in topology, redirecting exhaust power from a secondary divertor leg on the high field side to one on the low field side. Similar behavior is found in the fraction of exhaust power going to the inner and outer divertor. Such changes in the flux surfaces may not be captured by Grad–Shafranov solvers and so may be a source of error in the magnetic reconstruction of SF experiments. We consistently find that the fractional exhaust power going to a secondary divertor leg on the high field side is small, consistent with SF experiments.

Computer simulation↗
DOE OSTI2022

E × B flow driven electron temperature bifurcation in a closed slot divertor with ion B × ∇ B away from the X-point in the DIII-D tokamak

An electron temperature bifurcation is observed in the small angle slot divertor, which has been developed to enhance neutral cooling across the divertor target by coupling a closed slot structure with appropriate target shaping. Experiments in the DIII-D tokamak and associated SOLPS-ITER modeling with full drifts find a strong interplay between drifts and divertor geometry on divertor dissipation. The coupling of divertor geometry and drift flows can strongly affect the path towards divertor detachment onset as the plasma density is raised. With the strike point on the inner slanted surface and ion B × ∇B away from the magnetic X-point, bifurcative transitions were observed with sharp decrease of T e towards detachment onset both experimentally and computationally. This differs from the situation for the open divertor where the T e cliff was only observed for ion B × ∇B towards the X-point. SOLPS-ITER modeling with full drifts demonstrates that the magnitude of the E × B drift flow is comparable with the main plasma flow. The reversal of both the poloidal and radial E × B flows near the strike point leads to rapid density accumulation right near the separatrix, which results in bifurcative step transition of divertor conditions with cold plasma across the entire divertor target plate. Furthermore, these results indicate that the interplay between geometry and drifts should be fully taken into account in future fusion reactor divertor designs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗