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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 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

FuSED Users Manual, 5.24

The Fusion of Simulation, Experiment, and Data (FuSED) team provides a set of tools for solving inverse problems in structural dynamics and thermal physics, and also sensor placement optimization via Optimal Experimental Design (OED). These methods are used for designing experiments, model calibration, and verification/validation analysis of systems. This document provides a user’s guide to the input for the three apps that are supported for these methods. Details of input specifications, output options, and optimization parameters are included.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Ultra-Low Disorder Graphene Quantum Dot-Based Spin Qubits for Cyber Secure Fossil Energy Infrastructure (Final Technical Report)

The overarching goal of the proposed project is to demonstrate the feasibility of creating ultralow local disorder graphene quantum dots (GQDs)-based high-speed, high-fidelity spin quantum bits (qubits) for extremely cyber-secure coal energy plants of the future. Despite their inherent benefits, the coherence times in the state-of-the-art GQD qubits are still low primarily due to the local disorder in GQD devices generated during lithographic fabrication of GQDs. Hence, the focus of this research is to prepare ultralow disorder GQDs (e.g., edge roughness ~0.5nm) and evaluate the low temperature (~mK) charge/spin transport characteristics of the engineered GQD qubit platform. To achieve minimal disorder in GQD qubits, we employ a novel approach that combines nanotomy (novel GQD fabrication technique developed by the PI) and scanning probe microscopy-atomic oxidation lithography (SPM-AOL).

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2025

Efficient and Accurate Pre-Inversion of Equation of State Data

In this report, we evaluate the trade-offs between accuracy and performance in three equation of state interpola- tion strategies- EOSPAC, SpinerEOSDependsRhoT, and SpinerEOSDependsRhoSie-using SESAME tabular data. We also investigate ways to reduce nonlinearity in the data through invertible transformations within the SpinerEOS- DependsRhoSie class with the goal of impacting interpolation accuracy. We include a variety of benchmarking tests that vary the grid densities and how memory is accessed.

36 MATERIALS SCIENCE↗
DOE OSTI2025

JCZ3: An Equation of State Based on the Exponential-Six Intermolecular Potential – Update: Formulation

This report presents a comprehensive analysis of the JCZ3 equation of state (EOS) as implemented in the TIGER code, focusing on its thermodynamic framework, mathematical formulations, and implications for modeling gas phase behavior under varying conditions. Overall, the report affirms the TIGER code's foundational robustness and its potential as a valuable tool for simulating high-pressure, high-temperature gas mixtures, while also highlighting areas for further refinement and validation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

A spline-based method to obtain spatially dependent viscosity in confined flows

Coupling chemical physics to continuum theories is a critical step to understanding multi-scale phenomena. This paper will connect non-equilibrium molecular dynamics simulations to a continuum-based Navier-Stokes equation that has relaxed the assumption of spatial uniformity in viscosity. Using a form for viscosity based on spline interpolation, viscosity as a function of position is obtained from the least squares fit of the velocity profile measured from molecular simulations of flow in a nanochannel. Viscosity can vary widely, particularly near the channel boundaries, indicating that uniform viscosity is no longer appropriate. Variations of the viscosity near the channel surfaces imply that considering solution and surface chemistry could be necessary to rigorously understand molecular-scale flows in nanochannels.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Modeling Material Interfaces with the Six-Equation Model in FLEXO

FLEXO is a multiphysics code developed at Sandia National Laboratories for predictive simulation of pulsed power target physics with extended magnetohydrodynamics modeling. Given this application space, FLEXO must be able to perform high-fidelity simulations of pulsed-power systems that include multiple materials. This work presents the augmentation of FLEXO with a six-equation model for multimaterial flow. We design and analyze discretizations of the six-equation model, emphasizing desirable properties for robust multimaterial simulation. We also present solution limiting, bounds preservation, and pressure equilibration/relaxation techniques that enhance the robustness of the overall multimaterial scheme. We present a suite of test problems to document these new capabilities of the FLEXO code.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

An Introduction to Variational Calculus

Variational Calculus is an advanced topic in mathematics. This document exists to compile the basics of Variational Calculus in a readable and digestible manner for application by engineers. This document is a living document and will be updated as time moves forward. It is the hope that by reading this document, the basics of Variational Calculus can be readily applied to any system/function of interest. This does not serve as a replacement for textbooks or other learned sources but should act as a companion piece to better serve the reader in times of confusion and distress.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Quantum algorithms from fluctuation theorems: Thermal-state preparation

Fluctuation theorems provide a correspondence between properties of quantum systems in thermal equilibrium and a work distribution arising in a non-equilibrium process that connects two quantum systems with Hamiltonians H 0 and H 1 = H 0 + V. Building upon these theorems, we present a quantum algorithm to prepare a purification of the thermal state of H 1 at inverse temperature β ≥ 0 starting from a purification of the thermal state of H 0 . The complexity of the quantum algorithm, given by the number of uses of certain unitaries, is $\mathcal{O}$ (e β(ΔA - w l )/2 ), where ΔA is the free-energy difference between H 1 and H 0 , and w l is a work cutoff that depends on the properties of the work distribution and the approximation error ϵ > 0. If the non-equilibrium process is trivial, this complexity is exponential i β∥V∥, where ∥V∥ is the spectral norm of V. This represents a significant improvement of prior quantum algorithms that have complexity exponential in β∥H 1 ∥ in the regime where ∥V∥$\ll$ ∥H 1 ∥. The dependence of the complexity in ϵ varies according to the structure of the quantum systems. It can be exponential in 1/ϵ in general, but we show it to be sublinear in 1/ϵ if H 0 and H 1 commute, or polynomial in 1/ϵ if H 0 and H 1 are local spin systems. The possibility of applying a unitary that drives the system out of equilibrium allows one to increase the value of w l and improve the complexity even further. To this end, we analyze the complexity for preparing the thermal state of the transverse field Ising model using different non-equilibrium unitary processes and see significant complexity improvements.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Numerical Analysis of Blast Effects and Mitigation in the Far-Field from Small Explosions

Requirements for explosive safety are often given in terms of a “K-Factor”, correlating incident blast effects with the distance and TNT equivalent weight of an explosion. Traditionally, this is conducted using empirical correlations to experimental measurements (e.g., the Kingery–Bulmash equations). In the far-field, empirical verification of incident overpressure and impulse magnitudes can be difficult; extrapolations from data give expected values at reasonable standoff distances that sometimes are too small to measure on available equipment but are larger than some regulations require. The present paper describes the results of numerical hydrocode analysis to verify the expected incident overpressure and impulse from small hemispherical ground charges of TNT at these relatively large distances. Furthermore, the dynamic effect of incident blast waves on lightweight, modular mitigation barriers is studied to gauge their effectiveness at providing safety standard compliance.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Generalized Quantum Convolution for Multidimensional Data

The convolution operation plays a vital role in a wide range of critical algorithms across various domains, such as digital image processing, convolutional neural networks, and quantum machine learning. In existing implementations, particularly in quantum neural networks, convolution operations are usually approximated by the application of filters with data strides that are equal to the filter window sizes. One challenge with these implementations is preserving the spatial and temporal localities of the input features, specifically for data with higher dimensions. In addition, the deep circuits required to perform quantum convolution with a unity stride, especially for multidimensional data, increase the risk of violating decoherence constraints. In this work, we propose depth-optimized circuits for performing generalized multidimensional quantum convolution operations with unity stride targeting applications that process data with high dimensions, such as hyperspectral imagery and remote sensing. We experimentally evaluate and demonstrate the applicability of the proposed techniques by using real-world, high-resolution, multidimensional image data on a state-of-the-art quantum simulator from IBM Quantum.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Spacecraft Geometry Effects on Kinetic Impactor Missions

Abstract The DART (Double Asteroid Redirection Test) mission will impact a spacecraft on the secondary (Dimorphos) of the binary asteroid system Didymos in 2022 September, with the goal of altering the orbital period of Dimorphos about Didymos sufficiently to be observed from ground-based observations. Numerical impact modeling is a crucial component in understanding the outcome of the DART experiment, and while many have investigated the effects of target properties, such as material strength and porosity (which remain unknown), an often overlooked factor is the importance of accurately representing the spacecraft itself in such models. Most impact modeling to date has considered simple impactor geometries such as a solid uniform sphere, but in reality the spacecraft is a complex shape full of different components, open spaces, and thin walled structures. At a minimum, a simple solid representation underestimates the surface area of the impact: for a small body such as Dimorphos (approximately 160 m in diameter), the difference between a spacecraft spanning 20 m (including solar arrays) impacting and a sub-1 m idealized shape may be important. In this paper, we compare models impacting high-fidelity models of the spacecraft based on the CAD geometry with various simplified impactors, in order to assess the potential importance of this effect. We find that the difference between the simplest impactor geometries (such as a uniform sphere) and the real spacecraft is measurable, and has an interesting dependence on the material properties of the asteroid itself.

36 MATERIALS SCIENCE↗
DOE OSTI2022

One and Two Dimensional Quantum Lattice Algorithms for Maxwell Equations in Inhomogeneous Scalar Dielectric Media. II: Simulations

Long time quantum lattice algorithm (QLA) simulations are performed for the mul- tiple reflection-transmission of an initial electromagnetic pulse propagating normally to a boundary layer region joining two media of different refractive index. For these one dimensional (1D) sim- ulations, there is excellent agreement between x-, y- and z- representations, as well as very good agreement with nearly all the standard plane wave boundary condition results for reflection and transmission off a dielectric discontinuity. In the QLA simulation, no boundary conditions are im- posed at the continuous, but sharply increasing, dielectic boundary layers. Two dimensional (2D) QLA scattering simulations in the x-z plane are performed for an electromagnetic pulse interacting with a conical dielectric obstacle for the 8-16 qubit model.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

One and Two Dimensional Quantum Lattice Algorithms for Maxwell Equations in Inhomogeneous Scalar Dielectric Media I: Theory

A quantum lattice algorithm (QLA) is developed for Maxwell equations in scalar dielectric media using the Riemann-Silberstein representation on a Cartesian grid. For x-dependent and y-dependent dielectric inhomogeneities, the corresponding QLA requires a minimum of 8 qubits/spatial lattice site. This is because the corresponding Pauli spin matrices have off-diagonal components which permit the local collisional entanglement of these qubits. However, z-dependent inhomogeneities require a QLA with a minimum of 16 qubits/lattice site since the Pauli spin matrix σz is diagonal. For 2 dimensional inhomogeneities, one can readily couple the 8-8 qubit schemes for x-y variations. z-x and y-z variations can be treated by either a 16-8 qubit scheme or a 16-16 qubit representation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Quantum random number generator

A system and method are provided to yield a QRNG based on homodyne detection of quantum noise (e.g., vacuum noise measured as shot noise) generated from a local oscillator, such as an LED. In one embodiment, a QRNG may be provided that is adjustable based on a control input to produce a random output that can be translated to one or more random data bits.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Trajectory prediction via a feature vector approach

Described herein are various technologies pertaining to extracting one or more features from trajectory data recorded during motion of a body, and further, generating a n-dimensional feature vector based upon the one or more extracted features. The n-dimensional feature vector enables expedited analysis of the trajectory data from which the feature vector was generated. For example, rather than having to analyze a trajectory curve comprising a large number of time-position data points, the n-dimensional feature vector can be compared with one or more search parameters to facilitate clustering of the trajectory data associated with the n-dimensional feature vector with other trajectory data which also satisfies the search request. The trajectory data can be plotted on a screen in combination with the n-dimensional feature vector, and other pertinent information. The trajectory data, etc., can be displayed using heat maps or other graphical representation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗