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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2010

Effective cubic nonlinearity and cnoidal waves in the degenerate parametric frequency conversion

It is shown that under the degenerate conditions (SHG and type-I degenerate parametric generation), the increase in the order of a system of truncated wave equations reduces the initial problem to the solution of two independent nonlinear Schroedinger equations, which allows one to write down the analytic solutions of the corresponding problems by using the standard methods for constructing the searched-for solutions in the form of cnoidal waves. It is established that in realising of cascade processes (quasi-synchronism), one of which is degenerate, this approach based on the introduction of the concept of the effective cascade cubic nonlinearity is not very convenient because the latter in the general case is no longer the Kerr one.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

An approach to quantum-computational hydrologic inverse analysis

Making predictions about flow and transport in an aquifer requires knowledge of the heterogeneous properties of the aquifer such as permeability. Computational methods for inverse analysis are commonly used to infer these properties from quantities that are more readily observable such as hydraulic head. We present a method for computational inverse analysis that utilizes a type of quantum computer called a quantum annealer. While quantum computing is in an early stage compared to classical computing, we demonstrate that it is sufficiently developed that it can be used to solve certain subsurface flow problems. We utilize a D-Wave 2X quantum annealer to solve 1D and 2D hydrologic inverse problems that, while small by modern standards, are similar in size and sometimes larger than hydrologic inverse problems that were solved with early classical computers. Our results and the rapid progress being made with quantum computing hardware indicate that the era of quantum-computational hydrology may not be too far in the future.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Strong CP and flavor in multi-Higgs theories

We introduce a class of multi-Higgs doublet extensions of the Standard Model that solve the strong problem with profound consequences for the flavor sector. The Yukawa matrices are constrained to have many zero entries by a “Higgs-flavor” symmetry, , that acts on Higgs and quark fields. The violation of both and occurs in the Higgs mass matrix so that, for certain choices of charges, the strong parameter is zero at tree level. Radiative corrections to are computed in this class of theories. They vanish in realistic two-Higgs doublet models with . We also construct realistic three-Higgs models with , where the one-loop results for are model-dependent. Requiring has important implications for the flavor problem by constraining the Yukawa coupling and Higgs mass matrices. Contributions to from higher-dimension operators are computed at one loop and can also be sufficiently small, although the hierarchy problem of this class of theories is worse than in the Standard Model.

Hall, Lawrence↗
DOE OSTI2015

A tight distance-dependent estimator for screening three-center Coulomb integrals over Gaussian basis functions

A new estimator for three-center two-particle Coulomb integrals is presented. Our estimator is exact for some classes of integrals and is much more efficient than the standard Schwartz counterpart due to the proper account of distance decay. Although it is not a rigorous upper bound, the maximum degree of underestimation can be controlled by two adjustable parameters. We also give numerical evidence of the excellent tightness of the estimator. The use of the estimator will lead to increased efficiency in reduced-scaling one- and many-body electronic structure theories.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

A DENSITY-INDEPENDENT FORMULATION OF SMOOTHED PARTICLE HYDRODYNAMICS

The standard formulation of the smoothed particle hydrodynamics (SPH) assumes that the local density distribution is differentiable. This assumption is used to derive the spatial derivatives of other quantities. However, this assumption breaks down at the contact discontinuity. At the contact discontinuity, the density of the low-density side is overestimated while that of the high-density side is underestimated. As a result, the pressure of the low-density (high-density) side is overestimated (underestimated). Thus, unphysical repulsive force appears at the contact discontinuity, resulting in the effective surface tension. This tension suppresses fluid instabilities. In this paper, we present a new formulation of SPH, which does not require the differentiability of density. Instead of the mass density, we adopt the internal energy density (pressure) and its arbitrary function, which are smoothed quantities at the contact discontinuity, as the volume element used for the kernel integration. We call this new formulation density-independent SPH (DISPH). It handles the contact discontinuity without numerical problems. The results of standard tests such as the shock tube, Kelvin-Helmholtz and Rayleigh-Taylor instabilities, point-like explosion, and blob tests are all very favorable to DISPH. We conclude that DISPH solved most of the known difficulties of the standard SPH, without introducing additional numerical diffusion or breaking the exact force symmetry or energy conservation. Our new SPH includes the formulation proposed by Ritchie and Thomas as a special case. Our formulation can be extended to handle a non-ideal gas easily.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2011

Ground Processing Affordability for Space Vehicles

Launch vehicles and most of their payloads spend the majority of their time on the ground. The cost of ground operations is very high. So, why so often is so little attention given to ground processing during development? The current global space industry and economic environment are driving more need for efficiencies to save time and money. Affordability and sustainability are more important now than ever. We can not continue to treat space vehicles as mere science projects. More RLV's (Reusable Launch Vehicles) are being developed for the gains of reusability which are not available for ELV's (Expendable Launch Vehicles). More human-rated vehicles are being developed, with the retirement of the Space Shuttles, and for a new global space race, yet these cost more than the many unmanned vehicles of today. We can learn many lessons on affordability from RLV's. DFO (Design for Operations) considers ground operations during design, development, and manufacturing-before the first flight. This is often minimized for space vehicles, but is very important. Vehicles are designed for launch and mission operations. You will not be able to do it again if it is too slow or costly to get there. Many times, technology changes faster than space products such that what is launched includes outdated features, thus reducing competitiveness. Ground operations must be considered for the full product Lifecycle, from concept to retirement. Once manufactured, launch vehicles along with their payloads and launch systems require a long path of processing before launch. Initial assembly and testing always discover problems to address. A solid integration program is essential to minimize these impacts, as was seen in the Constellation Ares I-X test rocket. For RLV's, landing/recovery and post-flight turnaround activities are performed. Multi-use vehicles require reconfiguration. MRO (Maintenance, Repair, and Overhaul) must be well-planned--- even for the unplanned problems. Defect limits and standard repairs need to be in-place as well as easily added. Many routine inspections and maintenance can be like an aircraft overhaul. Modifications and technology upgrades should be expected. Another factor affecting ground operations efficiency is trending. It is essential for RLV's, and also useful for ELV's which fly the same or similar models again. Good data analysis of technical and processing performance will determine fixes and improvements needed for safety, design, and future processing. Collecting such data on new or low-frequency vehicles is a challenge. Lessons can be learned from the Space Shuttle, or even the Concorde aircraft. For all of the above topics, efficient business systems must be established for comprehensive program management and good throughput. Drawings, specifications, and manuals for an entire launch vehicle are often in different formats from multiple vendors, plus they have proprietary constraints. Nonetheless, the integration team must ensure that all data needed is compatible and visible to each appropriate team member. Ground processing systems for scheduling, tracking, problem resolution, etc. must be well laid-out. The balance between COTS (commercial off the shelf) and custom software is difficult. Multiple customers, vendors, launch sites, and landing sites add to the complexity of efficient IT (Information Technology) tools.

Ingalls, John↗
DOE OSTI2014

TAS: 89 0227: TAS Recovery Act - Optimization and Control of Electric Power Systems: ARRA

The name SuperOPF is used to refer several projects, problem formulations and soft-ware tools intended to extend, improve and re-define some of the standard methods of optimizing electric power systems. Our work included applying primal-dual interior point methods to standard AC optimal power flow problems of large size, as well as extensions of this problem to include co-optimization of multiple scenarios. The original SuperOPF problem formulation was based on co-optimizing a base scenario along with multiple post-contingency scenarios, where all AC power flow models and constraints are enforced for each, to find optimal energy contracts, endogenously determined locational reserves and appropriate nodal energy prices for a single period optimal power flow problem with uncertainty. This led to example non-linear programming problems on the order of 1 million constraints and half a million variables. The second generation SuperOPF formulation extends this by adding multiple periods and multiple base scenarios per period. It also incorporates additional variables and constraints to model load following reserves, ramping costs, and storage resources. A third generation of the multi-period SuperOPF, adds both integer variables and a receding horizon framework in which the problem type is more challenging (mixed integer), the size is even larger, and it must be solved more frequently, pushing the limits of currently available algorithms and solvers. The consideration of transient stability constraints in optimal power flow (OPF) problems has become increasingly important in modern power systems. Transient stability constrained OPF (TSCOPF) is a nonlinear optimization problem subject to a set of algebraic and differential equations. Solving a TSCOPF problem can be challenging due to (i) the differential-equation constraints in an optimization problem, (ii) the lack of a true analytical expression for transient stability in OPF. To handle the dynamics in TSCOPF, the set of differential equations can be approximated or converted into equivalent algebraic equations before they are included in an OPF formulation. In Chapter 4, a rigorous evaluation of using a predefined and fixed threshold for rotor angles as a mean to determine transient stability of the system is developed. TSCOPF can be modeled as a large-scale nonlinear programming problem including the constraints of differential-algebraic equations (DAE). Solving a TSCOPF problem can be challenging due to (i) the differential-equation constraints in an optimization problem, (ii) the lack of a true analytical expression for transient stability constraint in OPF. Unfortunately, even the current best TSCOPF solvers still suffer from the curse of dimensionality and unacceptable computational time, especially for large-scale power systems with multiple contingencies. In chapter 5, thse issues will be addressed and a new method to incorporate the transient stability constraints will be presented.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

Nonoverlapping Localized Exponential Time Differencing Methods for Diffusion Problems

In this paper, we propose nonoverlapping localized exponential time differencing (ETD) methods for diffusion problems. The model time-dependent diffusion equation is first reformulated on subdomains based on the nonoverlapping domain decomposition, in which Neumann boundary conditions are imposed on the interfaces for the subdomain problems and Dirichlet type conditions are enforced to form a space-time interface problem. After spatial discretization by standard central finite differences and temporal integration with the first or second order ETD methods, the fully discrete interface problem is obtained. Such an interface problem is then solved iteratively either at each time step or over the whole time interval: the former involves the solution of stationary problems in each subdomain at each iteration while the latter involves the solution of time-dependent subdomain problems at each iteration. For both approaches, we prove that localized ETD solutions conserve mass exactly and converge in time to the exact space semidiscrete solution. Numerical experiments in two dimensions are also presented to illustrate the performance of the proposed methods.

Mass conservation↗
DOE OSTI2011

Training considerations for the intracoelomic implantation of electronic tags in fish with a summary of common surgical errors

Training is a fundamental part of all scientific and technical disciplines. This is particularly true for all types of surgeons. For surgical procedures, a number of skills are necessary to reduce mistakes. Trainees must learn an extensive yet standardized set of problem-solving and technical skills to handle challenges as they arise. There are currently no guidelines or consistent training methods for those intending to implant electronic tags in fish; this is surprising, considering documented cases of negative consequences of fish surgeries and information from studies having empirically tested fish surgical techniques. Learning how to do fish surgery once is insufficient for ensuring the maintenance or improvement of surgical skill. Assessment of surgical skills is rarely incorporated into training, and is needed. Evaluation provides useful feedback that guides future learning, fosters habits of self-reflection and self-remediation, and promotes access to advanced training. Veterinary professionals should be involved in aspects of training to monitor basic surgical principles. We identified attributes related to knowledge, understanding, and skill that surgeons must demonstrate prior to performing fish surgery including a “hands-on” assessment using live fish. Included is a summary of common problems encountered by fish surgeons. We conclude by presenting core competencies that should be required as well as outlining a 3-day curriculum for training surgeons to conduct intracoelomic implantation of electronic tags. This curriculum could be offered through professional fisheries societies as professional development courses.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Thermal hydraulic model of the molten salt reactor experiment with the NEAMS system analysis module

System analysis codes have a long history of providing best-estimate and conservative safety analysis for both light water and advanced reactor technologies, including molten salt reactors. As interest continues to expand with advanced reactor concepts, system analysis codes will need revisions to accommodate the behavior of these technologies. Legacy system analysis codes will need to be updated to the latest numerical techniques to shorten execution time and increase the accuracy of results. One example of a modern system analysis code that already encompasses these characteristics is the System Analysis Module (SAM). One key objective of this paper was to review available information for system code modeling of the Molten Salt Reactor Experiment (MSRE) from sources in the open literature and collect the information from these open sources in one place for the first time. This supports the potential objective of developing an open specification for system code analysis for MSRE steady state and transients with and without reactor kinetics. Data from actual MSRE tests will serve as the basis for code-to-code comparison exercises, including the MSRE zero power physics tests, the fuel pump start-up and coast down tests, and the natural circulation transient. The objective is to produce a code-to-code benchmark with a standardized set of comparison problems, recognizing the limitations of the original data. To demonstrate an initial application of this objective and the usefulness of compiling this open data, two Molten Salt Reactor Experiment (MSRE)-related models were developed to evaluate SAM for liquid fueled molten salt reactors. One model was the SAM MSRE hydraulic mockup, which provided experimental data for pressure drop measurements. The second model was the complete MSRE primary loop. The MSRE primary loop model incorporated a fluoride salt fuel/coolant with heat transfer in both the core and heat exchanger. For both the hydraulic mockup and MSRE primary loop models, a holistic 1-D system description was built using open documentation, an open description that can be readily modified and applied for any system analysis code. SAM results for the pressure drop of the hydraulic mockup model were within 6% with measurements. Coolant temperatures for the primary loop model matched the expected axial change in temperature from historical calculations. Using alternative coolant properties obtained from the literature, corresponding to salts with different actinide contents, returned similar trends in core temperature profiles. A thermal hydraulic demonstration of a loss-of-flow transient showed the importance of coupling SAM thermal hydraulic analysis to neutronics. Here, this coupling is essential for simulating MSR transients with system analysis codes.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2024

The Transient Multi-Level method for Monte Carlo reactor statics calculations

The Transient Multi-Level (TML) method is applied to a time-dependent Monte Carlo transport solver to offload some of the computational burden of the expensive Monte Carlo solve to lower-order Coarse Mesh Finite Difference (CMFD) and Exact Point Kinetics Equations (EPKE) solvers via factorization of the neutron flux at the transport and CMFD levels using the Predictor Corrector Quasi-Static Method (PCQM). The Monte Carlo transient is solved by a modified fission source iteration scheme that introduces a single transient source bank. The method is implemented in the production-level Monte Carlo code, Shift, and verified with prescribed reactivity ramps from the two-dimensional version of the C5G7-TD reactor benchmark. The results show that, as compared to other quasi-static methods, the TML reduces the stochastic noise inherent to the transient Monte Carlo solver by factors of ~2 to 6 for various norm comparisons of the reactor power amplitude. Finally, the TML additionally reduces the number of Monte Carlo evaluations needed to simulate the transient, leading to roughly an order of magnitude improvement in CPU time relative to the standard PCQM for the problems tested.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Optimization-based, property-preserving algorithm for passive tracer transport

Here we present a new optimization-based property-preserving algorithm for passive tracer transport. The algorithm utilizes a semi-Lagrangian approach based on incremental remapping of the mass and the total tracer. However, unlike traditional semi-Lagrangian schemes, which remap the density and the tracer mixing ratio through monotone reconstruction or flux correction, we utilize an optimization-based remapping that enforces conservation and local bounds as optimization constraints. In so doing we separate accuracy considerations from preservation of physical properties to obtain a conservative, second-order accurate transport scheme that also has a notion of optimality. Moreover, we prove that the optimization-based algorithm preserves linear relationships between tracer mixing ratios. We illustrate the properties of the new algorithm using a series of standard tracer transport test problems in a plane and on a sphere.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Deep Kronecker neural networks: A general framework for neural networks with adaptive activation functions

Here we propose a new type of neural networks, Kronecker neural networks (KNNs), that form a general framework for neural networks with adaptive activation functions. KNNs employ the Kronecker product, which provides an efficient way of constructing a very wide network while keeping the number of parameters low. Our theoretical analysis reveals that under suitable conditions, KNNs induce a faster decay of the loss than that by the feed-forward networks. This is also empirically verified through a set of computational examples. Furthermore, under certain technical assumptions, we establish global convergence of gradient descent for KNNs. As a specific case, we propose the Rowdy activation function that is designed to get rid of any saturation region by injecting sinusoidal fluctuations, which include trainable parameters. The proposed Rowdy activation function can be employed in any neural network architecture like feed-forward neural networks, Recurrent neural networks, Convolutional neural networks etc. The effectiveness of KNNs with Rowdy activation is demonstrated through various computational experiments including function approximation using feed-forward neural networks, solution inference of partial differential equations using the physics-informed neural networks, and standard deep learning benchmark problems using convolutional and fully-connected neural networks.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Thermodynamics of Reactions Affected by Medium Reorganization

We present a thermodynamic analysis of the activation barrier for reactions which can be monitored through the difference in the energies of reactants and products defined as the reaction coordinate (electron and atom transfer, enzyme catalysis, etc). The free-energy surfaces along the reaction coordinate are separated into the enthalpy and entropy surfaces. For the Gaussian statistics of the reaction coordinate, the free-energy surfaces are parabolas, and the entropy surface is an inverted parabola. Its maximum coincides with the transition state for reactions with zero value of the reaction free energy. Maximum entropic depression of the activation barrier, anticipated by the concept of transition-state ensembles, can be achieved for such reactions. From Onsager’s reversibility, the entropy of equilibrium fluctuations encodes the entropic component of the activation barrier. The reorganization entropy thus becomes the critical parameter of the theory reducing the problem of activation entropy to the problem of reorganization entropy. Standard solvation theories do not provide reorganization entropy sufficient for the barrier depression. Complex media, characterized by many relaxation processes, need to be involved and proteins provide several routes for achieving large entropic effects related to incomplete (nonergodic) sampling of the complex energy landscape and active role of water in the reaction mechanism.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

A BPS Skyrme model and phenomenology of nuclei

We define a BPS Skyrme model, which is integrable, solvable and with solitons saturating a topological bound. When applied to nuclear physics, the model cures several serious problems appearing in the standard Skyrme model as well as in its typical generalizations. At the classical level, it qualitatively reproduces the main features of the liquid drop model of nuclei, providing proper relations between masses and radii of nuclei and the baryon number. In spite of its rather unusual form, the model also allows for the semiclassical quantization.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2014

Comment on “A case study on the scaling of 1/f noise: La{sub 2∕3}Sr{sub 1∕3}MnO{sub 3} thin films” [J. Appl. Phys. 113, 094901 (2013)]

The problem of non-standard scaling of the 1/f noise in thin manganite films was revisited in the above paper, suggesting the quantum theory of fundamental flicker noise for the interpretation of the unusual dependence of the normalized Hooge parameter on the sample volume. Experimental evidence has been reported, showing that in these materials such volume dependence is, instead, an artifact of extrinsic noise sources, e.g., contact noise. Moreover, the proposed theoretical model implies a linear temperature dependence of the Hooge parameter, which is against the experimental data reported here. Based on these arguments, it is possible to conclude that the quantum theory of fundamental flicker noise cannot be applied to the case of La{sub 2∕3}Sr{sub 1∕3}MnO{sub 3} thin films.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Three-dimensional tomographic imaging for dynamic radiation behavior study using infrared imaging video bolometers in large helical device plasma

A three-dimensional (3D) tomography system using four InfraRed imaging Video Bolometers (IRVBs) has been designed with a helical periodicity assumption for the purpose of plasma radiation measurement in the large helical device. For the spatial inversion of large sized arrays, the system has been numerically and experimentally examined using the Tikhonov regularization with the criterion of minimum generalized cross validation, which is the standard solver of inverse problems. The 3D transport code EMC3-EIRENE for impurity behavior and related radiation has been used to produce phantoms for numerical tests, and the relative calibration of the IRVB images has been carried out with a simple function model of the decaying plasma in a radiation collapse. The tomography system can respond to temporal changes in the plasma profile and identify the 3D dynamic behavior of radiation, such as the radiation enhancement that starts from the inboard side of the torus, during the radiation collapse. The reconstruction results are also consistent with the output signals of a resistive bolometer. These results indicate that the designed 3D tomography system is available for the 3D imaging of radiation. The first 3D direct tomographic measurement of a magnetically confined plasma has been achieved.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2019

The combined force field-sampling problem in simulations of disordered amyloid-β peptides

Molecular dynamics simulations of intrinsically disordered proteins (IDPs) can provide high resolution structural ensembles if the force field is accurate enough and if the simulation sufficiently samples the conformational space of the IDP with the correct weighting of sub-populations. Here, we investigate the combined force field–sampling problem by testing a standard force field as well as newer fixed charge force fields, the latter specifically motivated for better description of unfolded states and IDPs, and comparing them with a standard temperature replica exchange (TREx) protocol and a non-equilibrium Temperature Cool Walking (TCW) sampling algorithm. The force field and sampling combinations are used to characterize the structural ensembles of the amyloid-beta peptides Aβ42 and Aβ43, which both should be random coils as shown recently by experimental nuclear magnetic resonance (NMR) and 2D Förster resonance energy transfer (FRET) experiments. The results illustrate the key importance of the sampling algorithm: while the standard force field using TREx is in poor agreement with the NMR J-coupling and nuclear Overhauser effect and 2D FRET data, when using the TCW method, the standard and optimized protein-water force field combinations are in very good agreement with the same experimental data since the TCW sampling method produces qualitatively different ensembles than TREx. Lastly, we also discuss the relative merit of the 2D FRET data when validating structural ensembles using the different force fields and sampling protocols investigated in this work for small IDPs such as the Aβ42 and Aβ43 peptides.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗