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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Basic Research Needs in Quantum Computing and Networking

Employing quantum mechanical resources in computing, information processing, and networking opens the door to potential exponential advantages over classical counterparts. However, quantifying and realizing such advantages poses extensive scientific and engineering challenges. Department of Energy (DOE) investments have driven steady progress in addressing such challenges. Recently developed quantum algorithms offer asymptotic exponential advantages in speed or accuracy for fundamental scientific problems. These problems include simulating physical systems, solving systems of linear equations, differential equations, and optimization problems. Empirical demonstrations on nascent quantum hardware suggest better performance on contrived computational tasks than classical analogs. However, the requirements for a quantum computer or network to demonstrate an end-to-end rigorously quantifiable performance improvement over classical analogs remains a grand challenge, especially for problems of practical value. In particular, what will be required for quantum technology to ultimately exhibit scalable, rigorous, and transformative performance advantages for practical applications? In July 2023, DOE’s Advanced Scientific Computing Research program in the Office of Science convened the Workshop on Basic Research Needs in Quantum Computing and Networking, where major opportunities and grand challenges were identified. The following five priority research directions (PRDs) were identified as a result of the workshop.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Cable/Antenna Bounds Connecting Field Levels To Personnel Safety And Electronic Upset Thresholds

We use bounding models to estimate the power delivered to interior ordnance as well as the pin level voltages along a cable at interior electronic components. The procedures underlying these estimates are described in some detail. Conservation of steady-state power in a linear passive system underpins the power estimate, whereas, losses and quality factor limits underpin the limits on voltage transformations. The final levels are compared to no-fire threshold power and to minimum upset voltage levels in an example using a canonical slot aperture and cavity to estimate interior fields.

42 ENGINEERING↗
DOE OSTI2023

Preparing quantum many-body scar states on quantum computers

Quantum many-body scar states are highly excited eigenstates of many-body systems that exhibit atypical entanglement and correlation properties relative to typical eigenstates at the same energy density. Scar states also give rise to infinitely long-lived coherent dynamics when the system is prepared in a special initial state having finite overlap with them. Many models with exact scar states have been constructed, but the fate of scarred eigenstates and dynamics when these models are perturbed is difficult to study with classical computational techniques. In this work, we propose state preparation protocols that enable the use of quantum computers to study this question. We present protocols both for individual scar states in a particular model, as well as superpositions of them that give rise to coherent dynamics. For superpositions of scar states, we present both a system-size-linear depth unitary and a finite-depth nonunitary state preparation protocol, the latter of which uses measurement and postselection to reduce the circuit depth. For individual scarred eigenstates, we formulate an exact state preparation approach based on matrix product states that yields quasipolynomial-depth circuits, as well as a variational approach with a polynomial-depth ansatz circuit. We also provide proof of principle state-preparation demonstrations on superconducting quantum hardware.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Circular Bioeconomy Concepts—A Perspective

Circular economy concepts—including a circular bioeconomy—aim to transition the current, essentially linear, economic system to a more sustainable one. However, organizations and researchers currently define the circular economy concept differently, resulting in inconsistencies and difficulty in effectively implementing the framework. In this paper, we provide our perspective on the conceptual definitions of the circular economy, bioeconomy, and circular bioeconomy, outlining potential overlaps and differences and proposing a harmonized interpretation that stresses the importance of the carbon cycle. We conclude that the key goal of a circular economy is to slow, narrow, and close material resource loops, built on the foundation of renewable energy and non-toxic materials. Further, a sustainable bioeconomy goes beyond simply switching fossil resources with renewable, biological resources. It requires low-carbon energy inputs, sustainable supply chains, and promising disruptive conversion technologies for the sustainable transformation of renewable bioresources to high-value bio-based products, materials, and fuels. The bio-based circular carbon economy, in particular, stresses capturing atmospheric carbon via photosynthesis and exploiting this unique feature to the fullest extent possible. It sits at the intersection between the circular economy and the bioeconomy concept, resulting in a framework that focuses on closing the carbon cycle and stressing the opportunity to create an additional carbon sink capability in the technosphere by utilizing biogenic carbon for products and materials that are circulated in same or improved use cycles. Lastly, a sustainable circular bioeconomy transition will necessitate a set of consistent metrics that fit all products and industries.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2020

A framework to evaluate IMEX schemes for atmospheric models

We present a new evaluation framework for implicit and explicit (IMEX) Runge–Kutta time-stepping schemes. The new framework uses a linearized nonhydrostatic system of normal modes. We utilize the framework to investigate the stability of IMEX methods and their dispersion and dissipation of gravity, Rossby, and acoustic waves. We test the new framework on a variety of IMEX schemes and use it to develop and analyze a set of second-order low-storage IMEX Runge–Kutta methods with a high Courant–Friedrichs–Lewy (CFL) number. We show that the new framework is more selective than the 2-D acoustic system previously used in the literature. Schemes that are stable for the 2-D acoustic system are not stable for the system of normal modes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Massively parallel modeling and inversion of electrical resistivity tomography data using PFLOTRAN

Abstract. Electrical resistivity tomography (ERT) is a broadly accepted geophysical method for subsurface investigations. Interpretation of field ERT data usually requires the application of computationally intensive forward modeling and inversion algorithms. For large-scale ERT data, the efficiency of these algorithms depends on the robustness, accuracy, and scalability on high-performance computing resources. In this regard, we present a robust and highly scalable implementation of forward modeling and inversion algorithms for ERT data. The implementation is publicly available and developed within the framework of PFLOTRAN, an open-source, state-of-the-art massively parallel subsurface flow and transport simulation code. The forward modeling is based on a finite-volume discretization of the governing differential equations, and the inversion uses a Gauss–Newton optimization scheme. To evaluate the accuracy of the forward modeling, two examples are first presented by considering layered (1D) and 3D earth conductivity models. The computed numerical results show good agreement with the analytical solutions for the layered earth model and results from a well-established code for the 3D model. Inversion of ERT data, simulated for a 3D model, is then performed to demonstrate the inversion capability by recovering the conductivity of the model. To demonstrate the parallel performance of PFLOTRAN's ERT process model and inversion capabilities, large-scale scalability tests are performed by using up to 131 072 processes on a leadership class supercomputer. These tests are performed for the two most computationally intensive steps of the ERT inversion: forward modeling and Jacobian computation. For the forward modeling, we consider models with up to 122 ×106 degrees of freedom (DOFs) in the resulting system of linear equations and demonstrate that the code exhibits almost linear scalability on up to 10 000 DOFs per process. On the other hand, the code shows superlinear scalability for the Jacobian computation, mainly because all computations are fairly evenly distributed over each process with no parallel communication.

58 GEOSCIENCES↗
DOE OSTI2020

System and method for determining linear density of carbon fiber

A method for determining a linear density of a carbon fiber tow. The method includes providing a pulse of air directed toward the carbon fiber tow, determining, via a first sensor, an air pressure of the pulse of air, and measuring, via a second sensor, a displacement of the carbon fiber tow in response to the pulse of air directed toward the carbon fiber tow. The method further includes calculating, via a controller, a linear density of the carbon fiber tow based on the air pressure and the displacement, and outputting, via the controller, the linear density.

Koester, David Joseph↗
DOE OSTI2022

Time Evolution in Quantum Cosmology

The quantum description of time evolution in non-linear gravitational systems such as cosmological space-times is not well understood. We show, in the simplified setting of mini-superspace, that time evolution of this system can be obtained using a gauge fixed path integral, as long as one does not integrate over proper time. Using this gauge fixed action we can construct a Hamiltonian in the coherent - or classical - state basis. We show that by construction the coherent states satisfy the classical dynamical equations of General Relativity. They do not satisfy the Hamiltonian constraint. A consequence of this is that the Wheeler-DeWitt equation should not be satisfied in quantum gravity. Classical states have a natural non-trivial time evolution since they are not eigenstates of the Hamiltonian. A general feature of the unconstrained quantum theory of gravity is the prediction of a pressureless dark matter component of either sign energy density in the classical universe which may lead to novel phenomenology.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Paper #50 Preliminary Sizing of Active Magnetic Bearings for sCO2 Waste-Heat Recovery Application

The team of Southwest Research Institute (SwRI) and GE Vernova (GE) is executing a project developing conceptual designs of high-temperature active magnetic bearings (AMBs) for sCO2 machinery applications. The goals of the project are to develop conceptual designs for radial and thrust AMBs capable of operating in sCO2 environments up to 1000°F. A waste-heat recovery (WHR) application with hermetic machinery is used as a reference case to apply AMBs. This application was previously investigated to compare hermetic machinery enabled by process-lubricated bearings and high-speed motors/generators with traditional machinery configurations using oil-lubricated bearings, gearboxes, and grid-frequency electric machines. In this paper, AMBs are sized for the WHR application machinery. Load capacity estimates are made using first-principle-derived formulas that consider operation at elevated temperatures. Estimates of linearized AMB system coefficients are also made to aid future controller development. Rotor models are developed that account for AMB rotor geometry and housing space requirements. Rotordynamics studies are performed to identify reasonable target values for closed-loop AMB stiffness and closed-loop AMB damping. These target values will be used in future control studies.

Lipham, Robert↗
DOE OSTI2020

Linear beam stability in periodic focusing systems: Krein signature and band structure

The general question of how a beam becomes unstable has been one of the fundamental research topics among beam and accelerator physicists for several decades. In this study, we revisited the general problem of linear beam stability in periodic focusing systems by applying the concepts of Krein signature and band structure. We numerically calculated the eigenvalues and other associated characteristics of one-period maps, and discussed the stability properties of single-particle motions with skew quadrupoles and envelope perturbations in high-intensity beams on an equal footing. In particular, an application of the Krein theory to envelope instability analysis was newly attempted in this study. Finally, the appearance of instabilities is interpreted as the result of the collision between eigenmodes of opposite Krein signatures and the formation of a band gap.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

A review of active probing-based system identification techniques with applications in power systems

System identification is becoming a relevant research area for numerous applications in power grids due to the increasing complexity of the system. A paradigm shift in power system infrastructure driven by renewable energy resources, controllable loads, and new power electronics technologies have given rise to new challenges in power systems operation and control. This increased complexity of power systems and unavailability of physics-based models of most inverter-based resources requires that traditional modeling of power systems approaches be complemented by system identification-based black or grey box modeling techniques. In light of the importance of system identification and little attention paid to the applications of these techniques in transforming power systems, this paper provides a comprehensive review of active probing-based system identification methods in the context of power system applications. It reviews applications of both linear and nonlinear system identification with discussion on their potential and key takeaways. To motivate a further practical use in power systems, the paper provides an example of system identification, to develop a state space model of an unknown plant with step-by-step details. The paper highlights the advantages of using modern power electronics-based sources in the identification process and discusses the emerging research directions for future.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

A fast implicit solver for semiconductor models in one space dimension

Several different approaches are proposed for solving fully implicit discretizations of a simplified Boltzmann-Poisson system with a linear relaxation-type collision kernel. This system models the evolution of free electrons in semiconductor devices under a low-density assumption. At each implicit time step, the discretized system is formulated as a fixed-point problem, which can then be solved with a variety of methods. A key algorithmic component in all the approaches considered here is a recently developed sweeping algorithm for Vlasov-Poisson systems. A synthetic acceleration scheme has been implemented to accelerate the convergence of iterative solvers by using the solution to a drift-diffusion equation as a preconditioner. The performance of four iterative solvers and their accelerated variants has been compared on problems modeling semiconductor devices with various electron mean-free-path.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

A solution framework for linear PDE-constrained mixed-integer problems

Abstract We present a general numerical solution method for control problems with state variables defined by a linear PDE over a finite set of binary or continuous control variables. We show empirically that a naive approach that applies a numerical discretization scheme to the PDEs to derive constraints for a mixed-integer linear program (MILP) leads to systems that are too large to be solved with state-of-the-art solvers for MILPs, especially if we desire an accurate approximation of the state variables. Our framework comprises two techniques to mitigate the rise of computation times with increasing discretization level: First, the linear system is solved for a basis of the control space in a preprocessing step. Second, certain constraints are just imposed on demand via the IBM ILOG CPLEX feature of a lazy constraint callback. These techniques are compared with an approach where the relations obtained by the discretization of the continuous constraints are directly included in the MILP. We demonstrate our approach on two examples: modeling of the spread of wildfire and the mitigation of water contamination. In both examples the computational results demonstrate that the solution time is significantly reduced by our methods. In particular, the dependence of the computation time on the size of the spatial discretization of the PDE is significantly reduced.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Data-Driven Approach for Uncertainty Propagation and Reachability Analysis in Dynamical Systems

In this paper, we propose a data-driven approach for uncertainty propagation and reachability analysis in a dynamical system. The proposed approach relies on the linear lifting of a nonlinear system using linear Perron-Frobenius (P-F) and Koopman operators. Here, the uncertainty can be characterized in terms of the moments of a probability density function. We demonstrate how the P-F and Koopman operators are used for propagating the moments. Time-series data is used for the finite-dimensional approximation of the linear operators, thereby enabling data-driven approach for moment propagation. Simulation results are presented to demonstrate the effectiveness of the proposed method.

42 ENGINEERING↗
DOE OSTI2025

Fast and Scalable FFT-Based GPU-Accelerated Algorithms for Block-Triangular Toeplitz Matrices with Application to Linear Inverse Problems Governed by Autonomous Dynamical Systems

In this work, we present an efficient and scalable algorithm for performing matrix-vector multiplications (matvecs) for block Toeplitz matrices. Such matrices, which are shift-invariant with respect to their blocks, arise in the context of solving inverse problems governed by autonomous systems, and time-invariant systems in particular. In this article, we consider inverse problems that infer unknown parameters from observational data of a linear time-invariant dynamical system given in the form of partial differential equations (PDEs). Matrix-free Newton-conjugate-gradient methods are often the gold standard for solving these inverse problems, but they require numerous actions of the Hessian on a vector. Matrix-free adjoint-based Hessian matvecs require solution of a pair of linearized forward/adjoint PDE solves per Hessian action, which may be prohibitive for large-scale inverse problems. Time invariance of the forward PDE problem leads to a block Toeplitz structure of the discretized parameter-to-observable (p2o) map defining the mapping from inputs (parameters) to outputs (observables) of the PDEs. This block Toeplitz structure enables us to exploit two key properties: (1) compact storage of the p2o map and its adjoint, and (2) efficient fast Fourier transform–based Hessian matvecs. The proposed algorithm is mapped onto large multi-GPU clusters and achieves more than 80% of peak bandwidth on NVIDIA A100 GPUs. Excellent weak scaling is shown for up to 48 A100 GPUs. For the targeted problems, the implementation executes Hessian matvecs within fractions of a second, which is orders of magnitude faster than can be achieved by conventional matrix-free Hessian matvecs via forward/adjoint PDE solves.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Efficient numerical method for evaluating normal and anomalous time-domain equilibrium Green's functions in inhomogeneous systems

In this work we develop EPOCH (equilibrium propagator by orthogonal polynomial chain), a computationally efficient method to calculate the time-dependent equilibrium Green's functions, including the anomalous Green's functions of superconductors, to capture the time evolution in large inhomogeneous systems. The EPOCH method generalizes the Chebyshev wave-packet propagation method from quantum chemistry and efficiently incorporates the Fermi-Dirac statistics that is needed for equilibrium quantum condensed matter systems. The computational cost of EPOCH scales only linearly in the system degrees of freedom, generating an extremely efficient algorithm also for very large systems. We demonstrate the power of the EPOCH method by calculating the time evolution of an excitation near a superconductor–normal metal interface in two and three dimensions, capturing transmission as well as normal and Andreev reflections.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Data-Driven Distributed Algorithms for Estimating Eigenvalues and Eigenvectors of Interconnected Dynamical Systems

Here, the paper presents data-driven algorithms to estimate in a distributed manner the eigenvalues, right and left eigenvectors of an unknown linear (or linearized) interconnected dynamic system. In particular, the proposed algorithms do not require the identification of the system model in advance before performing the estimation. As a first step, we consider interconnected dynamical system with distinct eigenvalues. The proposed strategy first estimates the eigenvalues using the well-known Prony method. The right and left eigenvectors are then estimated by solving distributively a set of linear equations. One important feature of the proposed algorithms is that the topology of communication network used to perform the distributed estimation can be chosen arbitrarily, given that it is connected, and is also independent of the structure or sparsity of the system (state) matrix. The proposed distributed algorithms are demonstrated via a numerical example.

97 MATHEMATICS AND COMPUTING↗