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At least 1,459 records · Page 81
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Quantum computation of stopping power for inertial fusion target design

Stopping power is the rate at which a material absorbs the kinetic energy of a charged particle passing through it—one of many properties needed over a wide range of thermodynamic conditions in modeling inertial fusion implosions. First-principles stopping calculations are classically challenging because they involve the dynamics of large electronic systems far from equilibrium, with accuracies that are particularly difficult to constrain and assess in the warm-dense conditions preceding ignition. Here, we describe a protocol for using a fault-tolerant quantum computer to calculate stopping power from a first-quantized representation of the electrons and projectile. Our approach builds upon the electronic structure block encodings of Su et al. [ PRX Quant. 2 , 040332 (2021)], adapting and optimizing those algorithms to estimate observables of interest from the non-Born–Oppenheimer dynamics of multiple particle species at finite temperature. We also work out the constant factors associated with an implementation of a high-order Trotter approach to simulating a grid representation of these systems. Ultimately, we report logical qubit requirements and leading-order Toffoli costs for computing the stopping power of various projectile/target combinations relevant to interpreting and designing inertial fusion experiments. We estimate that scientifically interesting and classically intractable stopping power calculations can be quantum simulated with roughly the same number of logical qubits and about one hundred times more Toffoli gates than is required for state-of-the-art quantum simulations of industrially relevant molecules such as FeMoco or P450.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1980

Apparatus and method for destructive removal of particles contained in flowing fluid

An apparatus and method for destructively removing particles from a flowing gas containing the particles is described. In the specific embodiments disclosed the apparatus is adapted to remove carbon particles from diesel engine exhaust products. The exhaust products are directed to a predetermined location where they are rapidly vaporized and combine with oxygen in the exhaust products to form carbon dioxide. Vaporization in one embodiment is effected by a discharge grid located within an exhaust conduit, the grid being chosen so that alternate conductors defining the grid are spaced apart a distance approximately 125 times the mean diameter of the particles to be removed. A voltage differential of approximately 690 volts is applied across adjacent conductors.

Yang, L. C.↗
NASA NTRS1988

Finite element Euler computations in three dimensions

A two-step explicit FEM solution algorithm for the three-dimensional compressible Euler and Navier-Stokes equations based on unstructured triangular and tetrahedral grids is described and demonstrated. The method represents an extension and refinement of the algorithms presented by Loehner et al. (1984 and 1985), Peraire et al. (1987), and Morgan et al. (1987). The formulation and numerical implementation are outlined; the mesh generation, data structures, and adaptive remeshing are explained; and results for a two-dimensional airfoil, a three-dimensional engine air intake, a B747 in landing configuration, and a generic fighter aircraft are presented in extensive graphics and discussed in detail.

Peraire, Jaime↗
NASA NTRSDate not supplied

TPSAS-NF1676L-32060-DND

All previous PSP testing done in the Unitary Plan Wind Tunnel (UPWT) have required a significant amount of manual operation of the system. This has resulted in decreased testing efficiency and precluded the ability to provide near real-time data analysis to the customer. The overall goal of this project is to integrate the PSP data acquisition system into the supersonic UPWT data acquisition system (DAS) and create an adaptive software platform from which PSP data acquisition can be triggered by the tunnel and critical testing conditions can be recorded in real time for rapid analysis of the PSP data. This analysis includes the mapping of up to eight camera views onto a surface grid for analysis and converting to pressure using parameters supplied by the DAS. To fully implement this solution, communication must first be established between the Unitary DAS and the PSP DAS. This will be done by employing multiple scripts written in Python and C++ and implemented on a Linux cluster. These will be demonstrated and refined on an upcoming test (December 2018), and the successful completion will result in the ability to have automatic collection of PSP images and near real-time analysis capabilities.

Juliette Eddins↗
DOE OSTI2015

TU-AB-303-11: Predict Parotids Deformation Applying SIS Epidemiological Model in H&N Adaptive RT

Purpose: The aim is to investigate the use of epidemiological models to predict morphological variations in patients undergoing radiation therapy (RT). The susceptible-infected-susceptible (SIS) deterministic model was applied to simulate warping within a focused region of interest (ROI). Hypothesis is to consider each voxel like a single subject of the whole sample and to treat displacement vector fields like an infection. Methods: Using Raystation hybrid deformation algorithms and automatic re-contouring based on mesh grid, we post-processed 360 MVCT images of 12 H&N patients treated with Tomotherapy. Study focused on parotid glands, identified by literature and previous analysis, as ROI more susceptible to warping in H&N region. Susceptible (S) and infectious (I) cases were identified in voxels with inter-fraction movement respectively under and over a set threshold. IronPython scripting allowed to export positions and displacement data of surface voxels for every fraction. A MATLAB homemade toolbox was developed to model the SIS. Results: SIS model was validated simulating organ motion on QUASAR phantom. Applying model in patients, within a [0–1cm] range, a single voxel movement of 0.4cm was selected as displacement threshold. SIS indexes were evaluated by MATLAB simulations. Dynamic time warping algorithm was used to assess matching between model and parotids behavior days of treatments. The best fit of the model was obtained with contact rate of 7.89±0.94 and recovery rate of 2.36±0.21. Conclusion: SIS model can follow daily structures evolutions, making possible to compare warping conditions and highlighting challenges due to abnormal variation and set-up errors. By epidemiology approach, organ motion could be assessed and predicted not in terms of average of the whole ROI, but in a voxel-by-voxel deterministic trend. Identifying anatomical region subjected to variations, would be possible to focus clinic controls within a cohort of pre-selected patients eligible for adaptive RT. The research is partially co-funded by the Italian Research Grant: Dose warping methods for IGRT and Adaptive RT: dose accumulation based on organ motion and anatomical variations of the patients during radiation therapy treatments,MoH (GR-2010-2318757) and Tecnologie Avanzate S.r.l.(Italy)

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

Fragment approach to constrained density functional theory calculations using Daubechies wavelets

In a recent paper, we presented a linear scaling Kohn-Sham density functional theory (DFT) code based on Daubechies wavelets, where a minimal set of localized support functions are optimized in situ and therefore adapted to the chemical properties of the molecular system. Thanks to the systematically controllable accuracy of the underlying basis set, this approach is able to provide an optimal contracted basis for a given system: accuracies for ground state energies and atomic forces are of the same quality as an uncontracted, cubic scaling approach. This basis set offers, by construction, a natural subset where the density matrix of the system can be projected. In this paper, we demonstrate the flexibility of this minimal basis formalism in providing a basis set that can be reused as-is, i.e., without reoptimization, for charge-constrained DFT calculations within a fragment approach. Support functions, represented in the underlying wavelet grid, of the template fragments are roto-translated with high numerical precision to the required positions and used as projectors for the charge weight function. We demonstrate the interest of this approach to express highly precise and efficient calculations for preparing diabatic states and for the computational setup of systems in complex environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Microgrid Resilience: A Holistic and Context-Aware Resilience Metric

Microgrids present an effective solution for the coordinated deployment of various distributed energy resources and furthermore provide myriad additional benefits such as resilience, decreased carbon footprint, and reliability to energy consumers and the energy system as a whole. Boosting the resilience of distribution systems is another major benefit of microgrids. This is because they can also serve as a backup power source when the utility grid's operations are interrupted due to either high-probability low-impact events like a component failure or low-probability high-impact events - be it a natural disaster or a planned cyberattack. However, the degree to which any particular system can defend, adapt, and restore normal operation depends on various factors including the type and severity of events to which a microgrid is subjected. These factors, in turn, are dependent on the geographical location of the deployed microgrid as well as the cyber risk profile of the site where the microgrid is operating. Therefore, in this work, we attempt to capture this multi-dimensional interplay of various factors in quantifying the ability of the microgrid to be resilient in these varying aspects. This paper, thus, proposes a customized site-specific quantification of the resilience strength for the individual microgrid's capability to absorb, restore, and adapt to the changing circumstances for sustaining the critical load when a low-probability high-impact event occurs - termed as - context-aware resilience metric. We also present a case study to illustrate the key elements of our integrated analytical approach.

microgrid↗
NASA NTRS1992

An interactive grid generation technique for turbomachinery

A combination algebraic/elliptic technique is presented for the generation of 3-D grids about turbomachinery blade rows for both axial and radial flow machinery. The technique is build around use of an advanced engineering workstation to construct several 2-D grids interactively on predetermined blade-to-blade surfaces. A 3-D grid is generated by interpolating these surface grids onto an axisymmetric grid. On each blade to blade surface, a grid is created using algebraic techniques near the blade to control orthogonality within the boundary layer region and elliptic techniques in the mid-passage to achieve smoothness. The interactive definition of bezier curves as internal boundaries is the key to simple construction. The approach is adapted for use with the average passage solution technique, although this is not a limitation for most other uses. A variety of examples are presented.

Beach, Tim↗
NASA NTRS2002

Extension of Low Dissipative High Order Hydrodynamics Schemes for MHD Equations

The objective of this paper is to extend our recently developed highly parallelizable nonlinear stable high order schemes for complex multiscale hydrodynamic applications to the viscous MHD (magnetohydrodynamic) equations. These schemes employed multiresolution wavelets as adaptive numerical dissipation controls to limit the amount and to aid the selection and/or blending of the appropriate types of dissipation to be used. The new scheme is formulated for both the conservative and non-conservative form of the MHD equations in curvi-linear grids. The three features of the present MHD scheme over existing schemes in the open literature are as follows. First, the scheme is constructed for long-time integrations of shock/turbulence/combustion magnetized flows. Available schemes are too diffusive for long-time integrations and/or turbulence/combustion problems. Second, unlike existing schemes for the conservative MHD equations which suffer from ill-conditioned eigen-decompositions, the present scheme makes use of a well-conditioned eigen-decomposition to solve the conservative form of the MHD equations. This is due to, partly. the fact that the divergence of the magnetic field condition is a different type of constraint from its incompressible Navier-Stokes cousin. Third, a new approach to minimize the numerical error of the divergence free magnetic condition for high order scheme is introduced.

Yee, H. C.↗
NASA NTRS2003

Efficient Low Dissipative High Order Schemes for Multiscale MHD Flows, I: Basic Theory

The objective of this paper is to extend our recently developed highly parallelizable nonlinear stable high order schemes for complex multiscale hydrodynamic applications to the viscous MHD equations. These schemes employed multiresolution wavelets as adaptive numerical dissipation controls t o limit the amount of and to aid the selection and/or blending of the appropriate types of dissipation to be used. The new scheme is formulated for both the conservative and non-conservative form of the MHD equations in curvilinear grids. The four advantages of the present approach over existing MHD schemes reported in the open literature are as follows. First, the scheme is constructed for long-time integrations of shock/turbulence/combustion MHD flows. Available schemes are too diffusive for long-time integrations and/or turbulence/combustion problems. Second, unlike exist- ing schemes for the conservative MHD equations which suffer from ill-conditioned eigen- decompositions, the present scheme makes use of a well-conditioned eigen-decomposition obtained from a minor modification of the eigenvectors of the non-conservative MHD equations t o solve the conservative form of the MHD equations. Third, this approach of using the non-conservative eigensystem when solving the conservative equations also works well in the context of standard shock-capturing schemes for the MHD equations. Fourth, a new approach to minimize the numerical error of the divergence-free magnetic condition for high order schemes is introduced. Numerical experiments with typical MHD model problems revealed the applicability of the newly developed schemes for the MHD equations.

Sjoegreen, Bjoern↗
NASA NTRS2017

Temperature Increase Reduces Global Yields of Major Crops in Four Independent Estimates

Wheat, rice, maize, and soybean provide two-thirds of human caloric intake. Assessing the impact of global temperature increase on production of these crops is therefore critical to maintaining global food supply, but different studies have yielded different results. Here, we investigated the impacts of temperature on yields of the four crops by compiling extensive published results from four analytical methods: global grid-based and local point-based models, statistical regressions, and field-warming experiments. Results from the different methods consistently showed negative temperature impacts on crop yield at the global scale, generally underpinned by similar impacts at country and site scales. Without CO2 fertilization, effective adaptation, and genetic improvement, each degree-Celsius increase in global mean temperature would, on average, reduce global yields of wheat by 6.0%, rice by 3.2%, maize by 7.4%, and soybean by 3.1%. Results are highly heterogeneous across crops and geographical areas, with some positive impact estimates. Multi-method analyses improved the confidence in assessments of future climate impacts on global major crops and suggest crop- and region-specific adaptation strategies to ensure food security for an increasing world population.

Zhao, Chuang↗
DOE OSTI2018

A generative graph model for electrical infrastructure networks

We propose a generative graph model for electrical infrastructure networks that accounts for heterogeneity in both node and edge type. To inform the design of this model, we analyze the properties of power grid graphs derived from the U.S. Eastern Interconnection, Texas Interconnection, and Poland transmission system power grids. Across these datasets, we find subgraphs induced by nodes of the same voltage level exhibit shared structural properties atypical to small-world networks, including low local clustering, large diameter and large average distance. On the other hand, we find subgraphs induced by transformer edges linking nodes of different voltage types contain a more limited structure, consisting mainly of small, disjoint star graphs. The goal of our proposed model is to match both these inter and intra-network properties by proceeding in two phases: we first generate subgraphs for each voltage level and then generate transformer edges that connect these subgraphs. The first phase of the model adapts the Chung-Lu random graph model, taking desired vertex degrees and desired diameter as inputs, while the second phase of the model is based on a simpler random star graph generation process. We test the performance of our model by comparing its output across many runs to the aforementioned real data. In nearly all categories tested, we find our model is more accurate in reproducing the unusual mixture of properties apparent in the data than the Chung-Lu model. We also include graph visualization comparisons, as well as a brief analysis of edge-deletion resiliency. Ultimately, our model may be used to generate synthetic graph data, test hypotheses and algorithms at different scales, and serve as a baseline model on top of which further electrical network properties, device models, and interdependencies to other networks, may be appended.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Inferring adversarial behaviour in cyber‐physical power systems using a Bayesian attack graph approach

Abstract Highly connected smart power systems are subject to increasing vulnerabilities and adversarial threats. Defenders need to proactively identify and defend new high‐risk access paths of cyber intruders that target grid resilience. However, cyber‐physical risk analysis and defense in power systems often requires making assumptions on adversary behaviour, and these assumptions can be wrong. Thus, this work examines the problem of inferring adversary behaviour in power systems to improve risk‐based defense and detection. To achieve this, a Bayesian approach for inference of the Cyber‐Adversarial Power System (Bayes‐CAPS) is proposed that uses Bayesian networks (BNs) to define and solve the inference problem of adversarial movement in the grid infrastructure towards targets of physical impact. Specifically, BNs are used to compute conditional probabilities to queries, such as the probability of observing an event given a set of alerts. Bayes‐CAPS builds initial Bayesian attack graphs for realistic power system cyber‐physical models. These models are adaptable using collected data from the system under study. Then, Bayes‐CAPS computes the posterior probabilities of the occurrence of a security breach event in power systems. Experiments are conducted that evaluate algorithms based on time complexity, accuracy and impact of evidence for different scales and densities of network. The performance is evaluated and compared for five realistic cyber‐physical power system models of increasing size and complexities ranging from 8 to 300 substations based on computation and accuracy impacts.

Sahu, Abhijeet↗
DOE OSTI2020

Direct numerical simulations of turbulent reacting flows with shock waves and stiff chemistry using many-core/GPU acceleration

Compressible reacting flows may display sharp spatial variation related to shocks, contact discontinuities or reactive zones embedded within relatively smooth regions. The presence of such phenomena emphasizes the relevance of shock-capturing schemes such as the weighted essentially non-oscillatory (WENO) scheme as an essential ingredient of the numerical solver. However, these schemes are complex and have more computational cost than the simple high-order compact or non-compact schemes. In this paper, we present the implementation of a seventh-order, minimally-dissipative mapped WENO (WENO7M) scheme in a newly developed direct numerical simulation (DNS) code called KAUST Adaptive Reactive Flows Solver (KARFS). In order to make efficient use of the computer resources and reduce the solution time, without compromising the resolution requirement, the WENO routines are accelerated via graphics processing unit (GPU) computation. The performance characteristics and scalability of the code are studied using different grid sizes and block decomposition. Furthermore, the performance portability of KARFS is demonstrated on a variety of architectures including NVIDIA Tesla P100 GPUs and NVIDIA Kepler K20X GPUs. In addition, the capability and potential of the newly implemented WENO7M scheme in KARFS to perform DNS of compressible flows is also demonstrated with model problems involving shocks, isotropic turbulence, detonations and flame propagation into a stratified mixture with complex chemical kinetics.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Adaptive Determination of the Optimal Exchange Location in Wall-Modeled Large-Eddy Simulation

Wall-modeled large-eddy simulation introduces a modeling interface (or exchange location) separating the wall-modeled layer from the rest of the domain. The current state-of-the-art is to rely on user expertise when choosing where to place this modeling interface, whether this choice is tied to the grid or not. This paper presents a postprocessing algorithm that determines the exchange location systematically. The algorithm is based on a model for the error in the predicted wall shear stress and a model for the computational cost, and then finds the exchange location that minimizes a combination of the two. Here, the algorithm is tested both a priori and a posteriori using an equilibrium wall model for the flow over a wall-mounted hump, a boundary layer in an adverse pressure gradient, and a shock/boundary-layer interaction. The algorithm produces exchange locations that mostly agree with what an experienced user would suggest, with thinner wall-modeled layers in nonequilibrium flow regions and thicker wall-modeled layers where the boundary layer is closer to equilibrium. This suggests that the algorithm should be useful in simulations of realistic and highly complex geometries.

42 ENGINEERING↗
NASA NTRS1977

Objective tropical cyclone analysis and forecasting technique using conventional and Nimbus-5 electrically scanning microwave radiometer measurements

The ADAPT empirical analysis programs, based on finding an optimal representation of the data in the Karhunen-Loeve sense, were applied to 120 observations of twenty-nine 1973 and 1974 Pacific tropical cyclones. Each observation consists of NIMBUS-5 electrically scanning microwave radiometer (ESMR) radiation measurements at 267 grid points covering and surrounding the tropical cyclone plus nine other non-satellite derived descriptors. Analysis and forecast algorithms to estimate storm motion and intensity were developed for times ranging from the observation time up to 72 hours later. The 24 hr wind speed forecasts with an accuracy of 11.7 knots and position forecasts with accuracies 15% better than persistence were demonstrated using independent tests.

Hunter, H. E.↗
NASA NTRS1992

Grid generation and flow solution method for Euler equations on unstructured grids

A grid generation and flow solution algorithm for the Euler equations on unstructured grids is presented. The grid generation scheme, which uses Delaunay triangulation, generates the field points for the mesh based on cell aspect ratios and allows clustering of grid points near solid surfaces. The flow solution method is an implicit algorithm in which the linear set of equations arising at each time step is solved using a Gauss-Seidel procedure that is completely vectorizable. Also, a study is conducted to examine the number of subiterations required for good convergence of the overall algorithm. Grid generation results are shown in two dimensions for an NACA 0012 airfoil as well as a two element configuration. Flow solution results are shown for a two dimensional flow over the NACA 0012 airfoil and for a two element configuration in which the solution was obtained through an adaptation procedure and compared with an exact solution. Preliminary three dimensional results also are shown in which the subsonic flow over a business jet is computed.

Anderson, W. Kyle↗