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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Quantum simulation of quantum phase transitions using the convex geometry of reduced density matrices

Transitions of many-particle quantum systems between distinct phases at absolute-zero temperature, known as quantum phase transitions, require an exacting treatment of particle correlations. Here in this work, we present a general quantum-computing approach to quantum phase transitions that exploits the geometric structure of reduced density matrices. While typical approaches to quantum phase transitions examine discontinuities in the order parameters, the origin of phase transitions—their order parameters and symmetry breaking—can be understood geometrically in terms of the set of two-particle reduced density matrices (2-RDMs). The convex set of 2-RDMs provides a comprehensive map of the quantum system including its distinct phases as well as the transitions connecting these phases. Because 2-RDMs can potentially be computed on quantum computers at nonexponential cost, even when the quantum system is strongly correlated, they are ideally suited for a quantum-computing approach to quantum phase transitions. We compute the convex set of 2-RDMs for a Lipkin-Meshkov-Glick spin model on IBM superconducting-qubit quantum processors. Even though computations are limited to few-particle models due to device noise, comparisons with a classically solvable 1000-particle model reveal that the finite-particle quantum solutions capture the key features of the phase transitions including the strong correlation and the symmetry breaking.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Global stellarator coil optimization with quadratic constraints and objectives

Most present stellarator designs are produced by costly two-stage optimization: the first for an optimized equilibrium, and the second for a coil design reproducing its magnetic configuration. Few proxies for coil complexity and forces exist at the equilibrium stage. Rapid initial state finding for both stages is a topic of active research. Most present convex coil optimization codes use the least square winding surface method by Merkel (NESCOIL), with recent improvements in conditioning, regularization, sparsity, and physics objectives. While elegant, the method is limited to modeling the norms of linear functions in coil current. We present QUADCOIL, a global coil optimization method that targets combinations of linear and quadratic functions of the current. It can directly constrain and/or minimize a wide range of physics objectives unavailable in NESCOIL and REGCOIL, including the Lorentz force, magnetic energy, curvature, field-current alignment, and the maximum density of a dipole array. QUADCOIL requires no initial guess and runs nearly $10$ 2 x faster than filament optimization. Integrating it in the equilibrium optimization stage can potentially exclude equilibria with difficult-to-design coils, without significantly increasing the computation time per iteration. QUADCOIL finds the exact, global minimum in a large parameter space when possible, and otherwise finds a well-performing approximate global minimum. It supports most regularization techniques developed for NESCOIL and REGCOIL. We demonstrate QUADCOIL’s effectiveness in coil topology control, minimizing non-convex penalties, and predicting filament coil complexity with three numerical examples.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

A method for bounding high-order finite element functions: Applications to mesh validity and bounds-preserving limiters

We introduce a novel method for bounding high-order multi-dimensional polynomials in finite element approximations. The method involves precomputing optimal piecewise-linear bounding boxes for polynomial basis functions, which can then be used to locally bound any combination of these basis functions. This approach can be applied to any element/basis type at any approximation order, can provide local (i.e., subcell) extremum bounds to a desired level of accuracy, and can be evaluated efficiently on-the-fly in simulations. Furthermore, we show that this approach generally yields more accurate bounds in comparison to traditional methods based on convex hull properties (e.g., Bernstein polynomials). Furthermore, the efficacy of this technique is shown in applications such as mesh validity checks and optimization for high-order curved meshes, where positivity of the element Jacobian determinant can be ensured throughout the entire element, and continuously bounds-preserving limiters for hyperbolic systems, which can enforce maximum principle bounds across the entire solution polynomial.

Bounding box↗
DOE OSTI2024

Transmission interference fringe ( TIF ) technique for the dynamic visualization of evaporating droplet

Here, the transmission interference fringe (TIF) technique was developed to visualize the dynamics of evaporating droplets based on the Reflection Interference Fringe (RIF) technique for micro-sized droplets. The geometric formulation was conducted to determine the contact angle (CA) and height of macro-sized droplets without the need for the prism used in RIF. The TIF characteristics were analyzed through experiments and simulations to demonstrate a wider range of contact angles from 0 to 90°, in contrast to RIF's limited range of 0–30°. TIF was utilized to visualize the dynamic evaporation of droplets in the constant contact radius (CCR) mode, observing the droplet profile change from convex-only to convex-concave at the end of dry-out from the interference fringe formation. The TIF also observed the contact angle increase from the fringe radius increase. This observation is uniquely reported as the interference fringe (IF) technique can detect the formation of interference fringe between the reflection from the center convex profile and the reflection from the edge concave profile on the far-field screen. Unlike general microscopy techniques, TIF can detect far-field interference fringes as it focuses beyond the droplet-substrate interface. The formation of the convex-concave profile during CCR evaporation is believed to be influenced by the non-uniform evaporative flux along the droplet surface.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

A Survey of Constrained Gaussian Process: Approaches and Implementation Challenges

Gaussian process regression is a popular Bayesian framework for surrogate modeling of expensive data sources. As part of a larger effort in scientific machine learning, many recent works have incorporated physical constraints or other a priori information within Gaussian process regression to supplement limited data and regularize the behavior of the model. We provide an overview and survey of several classes of Gaussian process constraints, including positivity or bound constraints, monotonicity and convexity constraints, differential equation constraints provided by linear PDEs, and boundary condition constraints. We compare the strategies behind each approach as well as the differences in implementation, concluding with a discussion of the computational challenges introduced by constraints.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1992

Origin of metallic Fe-Ni in Renazzo and related chondrites

To assess the formation of metallic Fe-Ni in Renazzo and related chondrites, Ni and Co zoning profiles in metallic Fe-Ni are determined from different petrographic sites (chondrule interiors, chondrule margins, chondrule rims, and matrix) in Renazzo, Al Rais, and the related chondrite, MacAlpine Hills 87320. Metal from chondrule interiors shows flat Ni and Co concentrations and profiles, moderately large grain-to-grain compositional variations (even with chondrules), and generally high Ni and Co. Nickel concentrations extend above the kamacite stability limit; etching such 'martensite' shows high-Ni domains in some cases, but observed Ni concentrations do not exceed 190 mg/g. Metal from chondrule margins adjacent to matrix shows convex Ni and Co zoning profiles; the highest Ni and Co concentrations are at grain centers, although the mean central Ni and Co concentrations in margin grains are much lower than those from chondrule interiors; the remainder are convex. The low Co and Ni contents at the edge of grains in chondrule margins are interpreted to reflect dilution by Fe produced by FeO reduction.

Lee, Min S.↗
NASA NTRSDate not supplied

Simulation and Modeling of Hypersonic Turbulent Boundary Layers Subject to Favorable Pressure Gradients due to Streamline Curvature

Direct numerical simulations (DNS) of favorable-pressure-gradient turbulent boundary layers are presented for a nominal freestream Mach number of 5, with the objective of assessing the limitations of the currently available Reynolds-averaged Navier-Stokes (RANS) models. The favorable pressure gradient is induced by the streamwise curvature of the two-dimensional, planar, convex measurement surface used during experiments at the Texas A&M University. The DNS data shows good comparison with the measured velocity profiles, strain rates, and some, but not all, of the Reynolds-stress components. The discrepancies between the predicted and the measured wall-normal as well as shear stress components are primarily attributed to the lower than actual values inferred from typical PIV measurements of turbulent boundary layers. The DNS data shows a zero or slightly negative Reynolds shear stress in the outer part of the boundary-layer, which is indicative of the decaying turbulent motion under a strong favorable pressure gradient. The DNS data is also compared with the results of RANS computations based on commonly used zero, one, and two equation eddy-viscosity models. The RANS models yield reasonable comparisons with the DNS-based skin friction under zero and weak pressure gradients, but significant discrepancies under a strong pressure gradient. The k-w SST model provided the best overall predictions of skin friction, except in the region where the flow transitions from a favorable to an adverse pressure gradient. While the RANS models examined herein also give good predictions of the Reynolds shear stress under a sufficiently weak pressure gradient, none of those models are able to appropriately capture the reduction in the Reynolds stresses when the flow was subjected to a strong pressure gradient. An a priori assessment of the turbulent heat-flux prediction based on the assumption of a constant turbulent Prandtl number with the DNS data shows that while the constant turbulent Prandtl number model is effective in predicting the wall-normal component of turbulent heat flux, it does not capture the turbulent heat transfer in the streamwise direction for all the pressure gradient cases. The failure of the constant turbulent Prandtl number model highlights a requirement for more advanced models of the turbulent heat flux.

turbulent boundary layers↗
NASA NTRSDate not supplied

Multiple-Effector Control Allocation: Theory and Practice

Redundant controls are ubiquitous in many aerospace domains, including aircraft, spacecraft, and launch vehicles. Multiple control effectors having different capabilities (e.g., reaction controls, aerosurfaces, and vectored engines) must be optimally allocated to achieve high-performance and robust vehicle control, while considering different constraints, cost, or performance metrics associated with various control mixing schemes. These can include force or deflection limits, rate limits, propellant usage or drag penalties, cross-axis coupling, uncertainties, or even servoelastic interactions. This presentation introduces the fundamentals of control allocation theory, based on linear algebra and convex sets, using a handful of examples taken from the air and space vehicle domains. It is shown that even simple methods can provide verifiable and quantifiable performance benefits over ad-hoc approaches, and can support enhanced functions like fault tolerance and control reconfiguration.

Bill Benson↗
DOE OSTI2026

Input specific neural networks

Neural networks have emerged as powerful tools for mapping between inputs and outputs. However, their black-box nature limits the ability to encode or impose specific structural relationships between inputs and outputs. Many scientific and engineering problems, such as constitutive modeling in solid mechanics, require networks that can enforce convexity, monotonicity, or other structural constraints to ensure physical consistency. Here, we introduce the Input Specific Neural Network (ISNN), a new architecture that enables multiple, distinct constraints to be imposed on different input subsets for scalar-valued outputs. This framework unifies convex, monotone–convex, monotone, and arbitrary mappings within a single network for the first time. Two ISNN architectures with analytical first- and second-order derivatives are developed. We demonstrate the performance on synthetic toy problems, inverse problems in isotropic hyperelasticity, and finite element simulations. ISNNs achieve improved extrapolation behavior, require fewer invariant inputs than standard input convex networks for polyconvex potentials, and enable significant computational savings via manual differentiation. We also show how ISNNs can be used to learn structural relationships between inputs and outputs via a binary gating mechanism. Particularly, ISNNs are employed to model a homogenized anisotropic free energy potential in a decoupled multiscale setting. The network learns whether or not the potential should be modeled as polyconvex and retains only the relevant layers while using the minimum number of inputs. ISNNs provide a flexible foundation for embedding structural priors into neural networks, enhancing both interpretability and stability. They are broadly applicable across computational mechanics and other scientific domains requiring constrained functional relationships.

Jadoon, Asghar A. [Univ. of Texas, Austin, TX (Uni↗
NASA NTRS2005

Multivariate Parameter Sets for Optimal Synthesis of Compliant Mechanisms

This paper will propose the use of control maps along with discretized elements or meshes in the design parameter set for optimizing compliant mechanisms. The use of control maps will be demonstrated to encode the motion of groups of nodes or control points within a compliant mechanism design with simple mapping rules. The technique will serve as an alternative to increased mesh size or node wandering techniques that have been proposed to increase the number of alternative design shapes that may be considered. As an alternative approach, the proposed control map parameterization has the significant benefit that it minimizes the number of design parameters necessary (parameters increase linearly with the mesh size) in describing a given design making it computationally efficient. A limited number of tiles can produce a map that has a significant effect on the final shape. If the tiles are chosen appropriately, the problems such as material overlap and non-convex mesh elements are avoided automatically. This paper will describe the implementation of these control maps and provide several examples showing their implementation in the compliant mechanism topology synthesis process.

Shibakov, Alex↗
DOE OSTI2023

Møller–Plesset and Density-Fixed Adiabatic Connections for a Model Diatomic System at Different Correlation Regimes

In recent years, adiabatic connection (AC) interpolations developed within density functional theory (DFT) have been found to provide good performances in the calculation of interaction energies when used with Hartree–Fock (HF) ingredients. The physical and mathematical reasons for such unanticipated performance have been clarified, to some extent, by studying the strong-interaction limit of the Møller–Plesset (MP) AC. In this work, we calculate both the MP and the DFT AC integrand for the asymmetric Hubbard dimer, which allows for a systematic investigation of different correlation regimes by varying two simple parameters in the Hamiltonian: the external potential, Δv, and the interaction strength, U. Notably, we find that, while the DFT AC integrand appears to be convex in the full parameter space, the MP integrand may change curvature twice. Furthermore, we discuss different aspects of the second-order expansion of the correlation energy in each AC, and we demonstrate why the derivative of the λ-dependent density in the MP AC at λ = 0 (i.e., at the HF density) is zero in the model. Concerning the strong-interaction limit of both ACs in the Hubbard dimer setting, we show that the asymptotic value of the MP AC, W ∞ HF , is lower than (or equal to) its DFT analogue, W ∞ KS , if the two are compared at a given density, just like in real space. Furthermore, we also show that this is not always the case if the two quantities are compared at a given external potential.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

A positivity-preserving and conservative intersection-distribution-based remapping algorithm for staggered ALE hydrodynamics on arbitrary meshes

In this study, we introduce new intersection-distribution-based remapping tools for indirect staggered arbitrary Lagrangian-Eulerian (ALE) simulations of multi-material shock hydrodynamics on arbitrary meshes. In addition to conserving momentum and total energy, the three-stage remapper proposed in this work preserves non-negativity of the internal energy. At the first stage, we construct slope-limited piecewise-linear reconstructions of all conserved quantities on zones of the source mesh and perform intersection-based remap to obtain bound-preserving zonal quantities on the target mesh. At the second stage, we define bound-preserving nodal quantities of the staggered ALE discretization as convex combinations of corner quantities. The nodal internal energy is corrected in a way which keeps it non-negative, while providing exact conservation of total energy. At the final stage, we distribute the non-negative nodal internal energy to corners, zones and materials using non-negative weights. Proofs of positivity preservation are provided for each stage. This work is a natural extension of our paper [14] in which a similar intersection-distribution-based remapping procedure was employed. The original version used a nodal kinetic energy fix which did not provably ensure positivity preservation for the zonal internal energy after the final distribution stage. The new algorithm cures this potential drawback by using ‘coordinated’ limiters for piecewise-linear reconstructions, remapping the internal energy to nodes and correcting it before redistribution. The effectiveness of the new nodal fix is illustrated by numerical examples.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2004

Kinematic Treatment of CME Evolution in the Solar Wind

We present a kinematic study of the evolution of coronal mass ejections (CMEs) in the solar wind. Specifically, we consider the effects of: (1) spherical expansion; and (2) uniform expansion due to pressure gradients between the Interplanetary CME (ICME) and the ambient solar wind. We compare these results with an MHD model, which allows us to isolate these effects from the combined kinematic and dynamical effects, which are included in MHD models. They also provide compelling evidence that the fundamental cross section of so-called "force-free" flux ropes (or magnetic clouds) is neither circular or elliptical, but rather a convex-outward, "pancake" shape. We apply a force-free fitting to the magnetic vectors from the MHD simulation to assess how the distortion of the flux rope affects the fitting. In spite of these limitations, force-free fittings, which are straightforward to apply, do provide an important description of a number of parameters, including the radial dimension, orientation and chirality of the ICME.

Riley, Pete↗
NASA NTRS2004

KINEMATIC TREATMENT OF CORONAL MASS EJECTION EVOLUTION IN THE SOLAR WIND

We present a kinematic study of the evolution of coronal mass ejections (CMEs) in the solar wind. Specifically, we consider the effects of (1) spherical expansion and (2) uniform expansion due to pressure gradients between the interplanetary CME (ICME) and the ambient solar wind. We compare these results with an MHD model that allows us to isolate these effects h m the combined kinematic and dynamical effects, which are included in MHD models. They also provide compelling evidence that the fundamental cross section of so-called "force-free" flux ropes (or magnetic clouds) is neither circular or elliptical, but rather a convex-outward, "pancake" shape. We apply a force-free fit to the magnetic vectors from the MHD simulation to assess how the distortion of the flux rope affects the fit. In spite of these limitations, force-free fits, which are straightforward to apply, do provide an important description of a number of parameters, including the radial dimension, orientation, and chirality of the ICME. Subject headings: MHD - solar wind - Sun: activity - Sun: corona - Sun: coronal mass ejections (CMEs) - On-line material color figures Sun: magnetic fields

Riley, Pete↗
NASA NTRS2013

Siberian Pine Decline and Mortality in Southern Siberian Mountains

The causes and resulting spatial patterns of Siberian pine mortality in eastern Kuznetzky Alatau Mountains, Siberia were analyzed based on satellite (Landsat, MODIS) and dendrochronology data. Climate variables studied included temperature, precipitation and Standardized Precipitation-Evapotranspiration Index (SPEI) drought index. Landsat data analysis showed that stand mortality was first detected in the year 2006 at an elevation of 650 m, and extended up to 900 m by the year 2012. Mortality was accompanied by a decrease in MODIS derived vegetation index (EVI).. The area of dead stands and the upper mortality line were correlated with increased drought. The uphill margin of mortality was limited by elevational precipitation gradients. Dead stands (i.e., >75% tree mortality) were located mainly on southern slopes. With respect to slope, mortality was observed within a 7 deg - 20 deg range with greatest mortality occurring on convex terrain. Tree radial incrementmeasurements correlate and were synchronous with SPEI (r sq = 0.37, r(sub s) = 80). Increasing synchrony between tree ring growth and SPEI indicates that drought has reduced the ecological niche of Siberian pine. The results also showed the primary role of drought stress on Siberian pine mortality. A secondary role may be played by bark beetles and root fungi attacks. The observed Siberian pine mortality is part of a broader phenomenon of "dark needle conifers" (DNC, i.e., Siberian pine, fir and spruce) decline and mortality in European Russia, Siberia, and the Russian Far East. All locations of DNC decline coincided with areas of observed drought increase. The results obtained are one of the first observations of drought-induced decline and mortality of DNC at the southern border of boreal forests. Meanwhile if model projections of increased aridity are correct DNC, within the southern part of its range may be replaced by drought-resistant Pinus silvestris and Larix sibirica.

tree die-off↗
DOE OSTI2022

Optimizing lane reversals in transportation networks to reduce traffic congestion: A global optimization approach

This paper studies how to reduce the overall travel time of commuters in a transportation network by reversing the direction of some lanes in the network using a macroscopic network-wide perspective. Similar to the Network Design Problem, the lane reversal problem has been shown to be NP-hard given the dependence of the users’ route selection on the lane direction decision. Herein, we propose and compare three efficient methods to solve the routing and lane reversal problem jointly. First, we introduce an alternating method that decouples the routing and lane assignment problems. Second, we propose a Frank–Wolfe method that jointly takes gradient steps to adjust both the lane assignment and routing decisions. Third, we propose a convex approximation method that uses a threshold-based approach to convexify the joint routing and lane reversal objective. The convex approximation method is advantageous since it finds a global optimum solution for the approximated problem and it enables the possibility to include linear constraints. Using this method, we extend the main formulation to be able to limit a maximum number of reversed lanes, as well as to incorporate multiple origin–destination (OD) patterns. We test the proposed methods in a case study using the transportation network of Eastern Massachusetts where our results indicate an overall reduction in travel times of 4.7% by selecting the best 15 reversals. Moreover, using a small test network, we investigate the performance of the lane reversal strategies as a function of the OD demand symmetry. As expected, we observe that when the OD demand is very asymmetric (e.g., for a single OD pair, evacuations, large events), the reduction in travel times is larger than the symmetric case, reaching travel time reductions of 60%.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS1992

Miyun 232 MHz survey 1: Fields centered at: alpha:00(h)41(m), delta:41 deg 12 min and alpha: 07(h)00(m),delta:35 deg 00 min

A new meter-wave survey of sky region north of declination +30 deg is carried out with the Miyun 232 MHz Synthesis Radio Telescope (MSRT). The instrument, observation, and method of data reduction are briefly described. A preliminary catalog, first of a series, for two 8 deg. x 8 deg. regions centered respectively at 35 deg. is presented. On the average 4 - 5 sources per square degree are recorded with position accuracy of 5 sec. / S(Jy). BGPW scale is adopted for the flux density calibration. The accuracy of flux determination is limited by background fluctuation which is about 30 mJy. The catalog is complete for sources with flux larger than 0.25 Jy. The total number of sources listed in the paper amounts to 687. Several extended sources, sources with convex spectra, and one GPS source were found. Spectra of sources with flux larger than 0.5 Jy were also given.

Zhang, Xiz-Hen↗
DOE OSTI2021

A Scalable Meter Placement Method for Distribution System State Estimation

This paper studies the optimal meter placement problem for distribution system state estimation given limited measurement resources. We formulate the problem as a mixed integer semi-definite programming that minimizes the worst case estimation errors over a set of operating points. To solve the problem, we first relax the problem as a convex optimization problem. Motivated by the lack of scalability of existing solvers, we next leverage the special structure of the cost function and propose an algorithm based on barrier method that solves the problem with significantly better numerical performance. The proposed method has been validated on the IEEE 13-bus, IEEE 123-bus, and IEEE 8,500-bus feeders.

barrier method↗