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Results for “integrated gradients”

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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
NASA NTRS2017

Viscous Aerodynamic Shape Optimization with Installed Propulsion Effects

Aerodynamic shape optimization is demonstrated to tailor the under-track pressure signature of a conceptual low-boom supersonic aircraft. Primarily, the optimization reduces nearfield pressure waveforms induced by propulsion integration effects. For computational efficiency, gradient-based optimization is used and coupled to the discrete adjoint formulation of the Reynolds-averaged Navier Stokes equations. The engine outer nacelle, nozzle, and vertical tail fairing are axi-symmetrically parameterized, while the horizontal tail is shaped using a wing-based parameterization. Overall, 48 design variables are coupled to the geometry and used to deform the outer mold line. During the design process, an inequality drag constraint is enforced to avoid major compromise in aerodynamic performance. Linear elastic mesh morphing is used to deform volume grids between design iterations. The optimization is performed at Mach 1.6 cruise, assuming standard day altitude conditions at 51,707-ft. To reduce uncertainty, a coupled thermodynamic engine cycle model is employed that captures installed inlet performance effects on engine operation.

computational fluid dynamics↗
NASA NTRS1994

Physiological Adaptations and Countermeasures Associated with Long-Duration Space Flights

On earth, the presence of gravity imposes weight-bearing gradients on tissues which influence the functions of multiple integrative systems. On the other hand, conditions of actual or simulated microgravity can modify and/or nullify these gradients and subsequently alter structure and function. The purpose of this symposium is to discuss the results from short-term Shuttle flights, long term Skylab or Mir missions, or long-term ground based experiments which indicate or suggest that performance has been or could be compromised in space missions of long durations (>one year) or with space tasks (e.g. building space stations) with the goal of identifying countermeasures that could minimize or eliminate the expected anatomical and physiological consequences. After an overview by C. Tipton from the U. Arizona, the countermeasures necessary for the fluid shifts and select functions of the cardiovascular system will be discussed by A. Hargens from NASA Ames Research Center. He will be followed by K. Baldwin of the U. California at Irvine who will discuss the countermeasures needed to prevent the changes that alter the structure, function and control of skeletal muscles. Since changes in bone mass with microgravity are a major concern of NASA, V. Schneider from NASA Headquarters will present data and the countermeasures for bone. Although the results are limited, the changes in the endocrine and immune system deserve mentioning and C. Tipton will assume this responsibility. V. Convertino from the Air Force School of Aerospace Medicine has the challenge of discussing the role, importance, and the specificity of exercise as an effective countermeasure while I. Kozlovskaya from Moscow will elaborate on the Russian experiences with past countermeasures and provide a viewpoint on future ones. After the brief (25 min.) presentations, the speakers will assemble as a panel to discuss the issues raised and the concerns of the audience.

Tipton, C. M.↗
NASA NTRS1973

Minimum impulse three-body trajectories.

A rapid and accurate method of calculating optimal impulsive transfers in the restricted problem of three bodies has been developed. The technique combines a multi-conic method of trajectory integration with primer vector theory and an accelerated gradient method of trajectory optimization. A unique feature is that the state transition matrix and the primer vector are found analytical without additional integrations or differentiations. The method has been applied to the determination of optimal two and three impulse transfers between the L2 libration point and circular orbits about both the earth and the moon.

D'Amario, L.↗
DOE OSTI2025

Perspective on Many-Body Methods for Molecular Polaritonic Systems

Recent advances in strong light–matter interactions have revealed a wealth of new physical phenomena in molecules embedded in optical cavities, including modified chemical reactivity, altered excitation spectra, and novel quantum correlations. To describe these effects from first-principles, the field of ab initio quantum electrodynamics (QED) has emerged as a compelling extension of quantum chemistry that treats electronic and photonic degrees of freedom on equal footing. In this Perspective, we review the growing landscape of many-body QED methods, including Hartree–Fock, density functional theory (QEDFT), time-dependent DFT (QED-TDDFT), configuration interaction (QED-CI), complete active space (QED-CASSCF), coupled cluster (QED-CC), quantum Monte Carlo (QED-QMC), and density matrix renormalization group (QED-DMRG), highlighting recent developments and implementations. We further explore real-time methods, gradient and Hessian formalisms, and the integration of nonadiabatic nuclear dynamics. Applications range from benchmark simulations of polaritonic chemistry to quantum simulations on emerging quantum hardware. We conclude by outlining future directions for theory development and interdisciplinary efforts at the interface of quantum chemistry, condensed matter, and quantum optics.

36 MATERIALS SCIENCE↗
DOE OSTI2025

High-Nickel Cathodes with Mechanical and Interfacial Robustness via Tailored Concentration Gradients for Stable Li-Ion Batteries

Here, we have developed a versatile mathematical framework integrated with an automated reactor system to design and reify highly customizable full concentration gradient (FCG) in high-nickel cathodes for advanced Li-ion batteries. This method provides precise and independent control of the average composition, slope, and curvature of FCGs, enabling the optimization of structural and mechanical properties of the cathode materials. We have showcased this method with Ni 0.8 Co 0.1 Mn 0.1 (OH) 2 precursors of controlled FCGs, which unlocked an optimized cathode with excellent cycling stability without crack formation after repeated cycles. This work opens up new possibilities for the design and manufacturing of advanced cathode materials, enabling safer, high-performance batteries.

25 ENERGY STORAGE↗
DOE OSTI2025

Detection of Diversion in a Realistic Heat Pipe Microreactor Using Supervised Machine Learning

Microreactors (MRs) pose new challenges for international safeguards. Here, their small size and mass reproducibility make them ideal for deployment in greater numbers and in remote locations, making the job of safeguards inspectors more challenging. Machine learning (ML) is currently being applied to many fields to augment human performance and increase automation; in particular, ML could be used to provide insight for international inspectors to help detect the diversion of nuclear fuel from MR cores. Four ML model types (k-nearest neighbors, decision tree, random forest, and histogram-based gradient boosted ensemble) were trained on integrated flux and critical control drum angle data generated with Serpent 2 for a realistic heat pipe MR design, achieving nearly 100% binary classification accuracy of nominal and diversion core configurations by the end of 1 full power year for three of the four model types. Regression model variants were also trained, using the same input data, for predicting the number of fuel pins diverted. Root-mean-square errors below 5% of the total number of fuel pins were achieved by the 1 full power year mark for all models.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1978

Studies of vorticity imbalance and stability, moisture budget, atmospheric energetics, and gradients of meteorological parameters during AVE 3

Four diagnostic studies of AVE 3. are presented. AVE 3 represents a high wind speed wintertime situation, while most AVE's analyzed previously represented springtime conditions with rather low wind speeds. The general areas of analysis include the examination of budgets of vorticity, moisture, kinetic energy, and potential energy and a synoptic and statistical study of the horizontal gradients of meteorological parameters. Conclusions are integrated with and compared to those obtained in previously analyzed experiments (mostly springtime weather situations) so as to establish a more definitive understanding of the structure and dynamics of the atmosphere under a wide range of synoptic conditions.

Scoggins, J. R.↗
NASA NTRS1991

Symmetry plane model for turbulent flows with vortex generators

An approximate procedure is proposed for predicting the performance of counterrotating vortex-generator installations in incompressible flow. An inviscid calculation that includes the motion of the vortices is used to obtain crossflow velocities at the boundary-layer edge as a function of initial position, spacing, and strength of the vortices, and local values of the spanwise gradient are then folded into an integral turbulent-boundary layer procedure applied in the plane of symmetry. Special attention is paid to the consistency of the approximations and equations used. The two-dimensional aerodynamics of vortex generator installations on a NACA 0016 airfoil at angle-of-attack are estimated in this manner, and the results compared with experiments carried out with a 30-cm chord wing mounted in a 2.4 x 3.6-m cross-section wind tunnel and tested at chord Reynolds numbers of 0.7 and 1.4 x 10 to the 6th. Agreement in the separation location is found for these complex flows for a range of conditions.

Arnaud, Gilles L.↗
NASA NTRS1994

Accurate interlaminar stress recovery from finite element analysis

The accuracy and robustness of a two-dimensional smoothing methodology is examined for the problem of recovering accurate interlaminar shear stress distributions in laminated composite and sandwich plates. The smoothing methodology is based on a variational formulation which combines discrete least-squares and penalty-constraint functionals in a single variational form. The smoothing analysis utilizes optimal strains computed at discrete locations in a finite element analysis. These discrete strain data are smoothed with a smoothing element discretization, producing superior accuracy strains and their first gradients. The approach enables the resulting smooth strain field to be practically C1-continuous throughout the domain of smoothing, exhibiting superconvergent properties of the smoothed quantity. The continuous strain gradients are also obtained directly from the solution. The recovered strain gradients are subsequently employed in the integration o equilibrium equations to obtain accurate interlaminar shear stresses. The problem is a simply-supported rectangular plate under a doubly sinusoidal load. The problem has an exact analytic solution which serves as a measure of goodness of the recovered interlaminar shear stresses. The method has the versatility of being applicable to the analysis of rather general and complex structures built of distinct components and materials, such as found in aircraft design. For these types of structures, the smoothing is achieved with 'patches', each patch covering the domain in which the smoothed quantity is physically continuous.

Tessler, Alexander↗
NASA NTRS1998

Simulation of Ultra-Small MOSFETs Using a 2-D Quantum-Corrected Drift-Diffusion Model

We describe an electronic transport model and an implementation approach that respond to the challenges of device modeling for gigascale integration. We use the density-gradient (DG) transport model, which adds tunneling and quantum smoothing of carrier density profiles to the drift-diffusion model. We present the current implementation of the DG model in PROPHET, a partial differential equation solver developed by Lucent Technologies. This implementation approach permits rapid development and enhancement of models, as well as run-time modifications and model switching. We show that even in typical bulk transport devices such as P-N diodes and BJTs, DG quantum effects can significantly modify the I-V characteristics. Quantum effects are shown to be even more significant in small, surface transport devices, such as sub-0.1 micron MOSFETs. In thin-oxide MOS capacitors, we find that quantum effects may reduce gate capacitance by 25% or more. The inclusion of quantum effects in simulations dramatically improves the match between C-V simulations and measurements. Significant quantum corrections also occur in the I-V characteristics of short-channel MOSFETs due to the gate capacitance correction.

Biegel, Bryan A.↗
NASA NTRS2002

Error minimization using redundant gravity measurements

This paper addresses the problem of redundant gravity measurements for reduction of measurement errors. The approach exploits constraints imposed upon the components of the gravity gradient tensor by the conditions of integrability needed for reconstruction of the gravity potential. It has been demonstrated that the total error of noisy measurements can be reduced by 25% using the best fit into the integrability constraints.

gravity gradiometry↗
NASA NTRSDate not supplied

Solid-State Exergy Optimized Electric Aircraft Thermal and Fault Management

Future air vehicles will increasingly incorporate electrical powertrains that require very tight system level integration of power, propulsion, thermal, fault protection, and airframe technologies. This paper provides an overview of a new category of thermal energy conversion technology that can be used to enable a fully solid-state integrated thermal and fault management electric aircraft protection system, while synergistically managing and recycling both the low-grade waste heat from electrical components and the high-grade waste heat from engine components. This is achieved with exergy amplification of the powertrain waste-heat, a new class of fast flight-weight breakers, new class of long variable conductance heat pipe with multiple switchable condensers, new class of turbofan integrated heat exchangers and a gradient-based powertrain system optimizer.

safety↗
NASA NTRS2020

Electric Aircraft Cooling with Bio-Inspired Exergy Management

Future air vehicles will increasingly incorporate electrical powertrains that require very tight system-level integration of power, propulsion, thermal, fault protection, and airframe technologies. This chapter provides an overview of a new category of thermal energy conversion technology and describes the development of the resulting Thermal Recovery Exergy Efficient System, TREES. TREES can be used to enable a fully solid-state integrated thermal and fault management electric aircraft protection system, while synergistically managing and recycling both the low-grade waste heat from electrical components and the high-grade waste heat from engine components. This is achieved with exergy amplification of the powertrain waste heat, a new class of fast flight-weight breakers, a new class of long variable-conductance heat pipes with multiple switchable condensers, a new class of turbofan-integrated heat exchangers, and a gradient-based powertrain system optimizer. This approach is like the human body’s thermal management system in which the heart, arteries, and veins are analogous to the turbofan, acoustic tubes, and heat pipes proposed herein.

Rodger W Dyson↗
DOE OSTI2026

Efficient derivative computation for unsteady fatigue-constrained nonlinear aero-structural wind turbine blade optimization

Gradient-based optimization offers significant efficiency advantages for wind turbine blade design, but its application has often been limited by the cost and accuracy of finite-difference derivative calculations, especially when fatigue constraints are considered. In this work, we systematically compare and evaluate four differentiation techniques, namely algorithmic differentiation, implicit differentiation, sparsity exploitation, and parallelization, to determine their effectiveness in computing accurate gradients through time-domain aero-structural simulations. By integrating these techniques with unsteady nonlinear aerodynamic and structural models, we develop software designed for accurate gradient computation. We show that combining these techniques addresses memory and runtime challenges associated with long simulations required by design load cases. Specifically, the most effective combination reduces derivative computation wall time by over an order of magnitude compared to finite differencing while maintaining superior accuracy. We demonstrate this approach in a proof-of-concept aero-structural optimization of a wind turbine blade that improves the cost of energy by 12.78 %. This comparative study establishes a viable approach for fatigue-aware blade design that balances computational efficiency with modeling accuracy.

17 WIND ENERGY↗
DOE OSTI2025

Polynomial Scaling Localized Active Space Unitary Selective Coupled Cluster Singles and Doubles

We present a polynomial-scaling algorithm for the localized active space unitary selective coupled cluster singles and doubles (LAS-USCCSD) method. In this approach, cluster excitations are selected based on a threshold ϵ determined by the absolute gradients of the LAS-UCCSD energy with respect to cluster amplitudes. Using the generalized Wick’s theorem for multireference wave functions, we derive the gradient expression as a polynomial function of one-, two-, and three-body reduced density matrices and 1- and 2-electron integrals, valid for any multireference wave function. The resulting gradient implementation exhibits a memory scaling of 𝒪(N 6 ), with N spin orbitals in the combined active space of all fragments. The variational quantum eigensolver is used to optimize the selected cluster excitations on a quantum simulator. Furthermore, by plotting the energy error, defined as the difference between the LAS-USCCSD and corresponding CASCI energies, against the inverse cluster amplitude selection threshold (ϵ –1 ) for polyene chains containing 2 to 5 π-bond units, we establish a relationship between the energy error and the threshold. To further validate the accuracy of LAS-USCCSD, we computed the cis–trans isomerization energy of stilbene (a 20-qubit system) and the magnetic coupling constant of the tris-hydroxo-bridged chromium dimer [Cr 2 (OH) 3 (NH 3 ) 6 ] 3+ (evaluated as both 12- and 20-qubit systems) using the Qiskit-Qulacs simulator. Assessing such examples is important to determine the practical feasibility of quantum simulations for chemically realistic systems. Toward this goal, with the LAS-USCCSD algorithm we estimated the quantum resources required for simulating an active space of (30e,22o) in [Cr 2 (OH) 3 (NH 3 ) 6 ] 3+ , a size that remains beyond the reach of current quantum simulators for accurate treatment.

Algorithms↗