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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 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

MO-FG-CAMPUS-TeP2-01: A Graph Form ADMM Algorithm for Constrained Quadratic Radiation Treatment Planning

Purpose: In radiation therapy optimization the constraints can be either hard constraints which must be satisfied or soft constraints which are included but do not need to be satisfied exactly. Currently the voxel dose constraints are viewed as soft constraints and included as a part of the objective function and approximated as an unconstrained problem. However in some treatment planning cases the constraints should be specified as hard constraints and solved by constrained optimization. The goal of this work is to present a computation efficiency graph form alternating direction method of multipliers (ADMM) algorithm for constrained quadratic treatment planning optimization and compare it with several commonly used algorithms/toolbox. Method: ADMM can be viewed as an attempt to blend the benefits of dual decomposition and augmented Lagrangian methods for constrained optimization. Various proximal operators were first constructed as applicable to quadratic IMRT constrained optimization and the problem was formulated in a graph form of ADMM. A pre-iteration operation for the projection of a point to a graph was also proposed to further accelerate the computation. Result: The graph form ADMM algorithm was tested by the Common Optimization for Radiation Therapy (CORT) dataset including TG119, prostate, liver, and head & neck cases. Both unconstrained and constrained optimization problems were formulated for comparison purposes. All optimizations were solved by LBFGS, IPOPT, Matlab built-in toolbox, CVX (implementing SeDuMi) and Mosek solvers. For unconstrained optimization, it was found that LBFGS performs the best, and it was 3–5 times faster than graph form ADMM. However, for constrained optimization, graph form ADMM was 8 – 100 times faster than the other solvers. Conclusion: A graph form ADMM can be applied to constrained quadratic IMRT optimization. It is more computationally efficient than several other commercial and noncommercial optimizers and it also used significantly less computer memory.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Experimental Phase Functions of Millimeter-sized Cosmic Dust Grains

We present the experimental phase functions of three types of millimeter-sized dust grains consisting of enstatite, quartz, and volcanic material from Mount Etna, respectively. The three grains present similar sizes but different absorbing properties. The measurements are performed at 527 nm covering the scattering angle range from 3° to 170°. The measured phase functions show two well-defined regions: (i) soft forward peaks and (ii) a continuous increase with the scattering angle at side- and back-scattering regions. This behavior at side- and back-scattering regions is in agreement with the observed phase functions of the Fomalhaut and HR 4796A dust rings. Further computations and measurements (including polarization) for millimeter-sized grains are needed to draw some conclusions about the fluffy or compact structure of the dust grains.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Electronic and Structural Properties of the Polymer-Electrolyte Interphase in Electrochemically Doped Polymers

The advance of soft, polymer-based (photo)electrochemical energy transformation and storage applications requires a framework for polymer and electrolyte design that includes a deep understanding of the polymer–electrolyte interphase. Here, we report on the investigations of two napthalenediimide (NDI)–bithiophene (T2)-based semiconducting copolymers using computational modeling and in situ, ex situ, and operando techniques to reveal how changes in electrolyte and polymer chemistry modulate the electronic and structural properties of polymer electrodes during electrochemical (de)doping. These systems are shown to host an ensemble of polarons, in contrast with the single polaron-like character often reported, whose properties vary with the nature of the local environment. Importantly, these polarons serve as reporters of the nanoscale environments in which they reside. We demonstrate that controlling the polymer and electrolyte chemistry regulates the nature of the charge carriers generated upon electrochemical doping and/or exciton dissociation in a photoelectrochemical solar cell: For instance, divalent counterions enable polaron and bipolaron formation at lower reducing potentials, while supporting more bipolaron formation than monovalent counterions. A novel application of NEXAFS reveals insights into charge (de)localization, providing a pathway for future investigation of electron transport mechanisms. Finally, simulations of polymer swelling of an amorphous interphase show that charge formation has a large impact on polymer swelling and ion penetration. These studies deliver insights to enable the control of charge-carrier and ion transport, the rates of electron transfer and catalytic efficiency, device stability, and overall device performance.

14 SOLAR ENERGY↗
NASA NTRS1974

Computer algorithm for coding gain

Development of a computer algorithm for coding gain for use in an automated communications link design system. Using an empirical formula which defines coding gain as used in space communications engineering, an algorithm is constructed on the basis of available performance data for nonsystematic convolutional encoding with soft-decision (eight-level) Viterbi decoding.

Dodd, E. E.↗
NASA NTRS1986

Low-energy electron-atom bremsstrahlung

This paper extends recent work providing an elementary calculation of bremsstrahlung and opacity associated with the scattering of low-energy electrons by neutral atoms and molecules. The method applies when the scattering potential is 'hard' or when the collision time is short, applying the classical soft-photon emission probability formula for arbitrary bremsstrahlung photon energy. However, now, in addition to correcting the probability factor for finite bremsstrahlung photon energy, another factor corrects for the reduced phase space available to the outgoing electron. The bremsstrahlung cross section and opacity are then computed directly from the elastic scattering cross section, determined experimentally or calculated; a small (approximately 10 percent) correction is computed from the anisotropic term in the elastic scattering cross section. The opacity is evaluated for electron scattering by H, He, and H2 using experimentally determined values for the elastic scattering cross section, and is compared with more elaborate calculations. The agreement is good (within 10 percent), indicating an accuracy for the general method comparable to variations among the results of different elaborate theoretical computations. The agreement seems to validate the basic approximation of short collision time even at large bremsstrahlung photon energy for electron energies and temperatures up to a few eV.

Gould, R. J.↗
NASA NTRS1993

Experiments with a small behaviour controlled planetary rover

A series of experiments that were performed on the Rocky 3 robot is described. Rocky 3 is a small autonomous rover capable of navigating through rough outdoor terrain to a predesignated area, searching that area for soft soil, acquiring a soil sample, and depositing the sample in a container at its home base. The robot is programmed according to a reactive behavior control paradigm using the ALFA programming language. This style of programming produces robust autonomous performance while requiring significantly less computational resources than more traditional mobile robot control systems. The code for Rocky 3 runs on an eight bit processor and uses about ten k of memory.

Miller, David P.↗
DOE OSTI2017

Using Machine Learning and Data Analysis to Improve Customer Acquisition and Marketing in Residential Solar

High customer acquisition costs remain a persistent challenge in the U.S. residential solar industry. Effective customer acquisition in the residential solar market is increasingly achieved with the help of data analysis and machine learning, whether that means more targeted advertising, understanding customer motivations, or responding to competitors. New research by the National Renewable Energy Laboratory, Sandia National Laboratories, Vanderbilt University, University of Pennsylvania, and the California Center for Sustainable Energy and funded through the U.S. Department of Energy's Solar Energy Evolution and Diffusion (SEEDS) program demonstrates novel computational methods that can help drive down costs in the residential solar industry.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2019

Non-cardiac uptake of technetium-99m pyrophosphate in transthyretin cardiac amyloidosis

Background: Technetium-based bone scintigraphy is rapidly becoming the most common non-invasive imaging tool in the diagnosis of Transthyretin cardiac amyloidosis (ATTR). Skeletal muscle uptake has been described with technetium-99m-3,3-diphosphono-1,2-propanodicarboxylic acid (TcDPD), and may account for masking of bony uptake. We sought to investigate skeletal muscle uptake of technetium-99m-pyrophosphate (TcPYP) in patients with ATTR. Methods and Results: This was a retrospective analysis of 57 patients diagnosed with ATTR who underwent TcPYP scintigraphy. Cardiac uptake was assessed on whole-body planar imaging using a semiquantitative scale (grades 0 to 3) and on single-photon emission computed tomography (SPECT) with CT attenuation correction using total myocardial counts per voxel after a 3-hour incubation. Skeletal muscle (psoas and biceps), vertebral body, LV myocardium, and blood pool mean counts were calculated. In the cohort (age 78 ± 9 years, 77% male, and 30% hereditary ATTR), there was no visualized tracer uptake in skeletal muscle or soft tissue on qualitative SPECT assessment. Total and blood pool-corrected uptake in the muscle groups were significantly less than myocardium and bone (P < 0.001). Blood pool-corrected muscle uptake was not associated with semiquantitative grade 3 vs 2 uptake (psoas P = 0.66, biceps P = 0.13) or presence of hereditary ATTR (psoas P = 0.43, biceps P = 0.69). As bony uptake decreased, there was no corresponding increase in skeletal muscle uptake. Conclusions: In patients with ATTR cardiac amyloidosis, skeletal muscle uptake of TcPYP is minimal when assessed by qualitative and quantitative metrics, and is not significantly different in patients with grade 2 vs 3 semiquantitative uptake. The properties of this tracer may be different than TcDPD with respect to non-cardiac uptake.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2015

Intermolecular Network Theory:A General Approach for Understanding the Structural and Dynamic Properties of Liquids and Solutions

Graph theory applications within the physical sciences have a long history. However, it has never moved to the forefront of analytical techniques employed by the computational chemistry community. Though much of the earliest work leveraged percolation theory as a backdrop for understanding critical phenomena and phase transitions within statistical mechanical simulations, modern data science has much to contribute. Here in this paper, we focus on the realm of intermolecular networks, where vertices represent molecules or particles, and an edge represents an intermolecular or interparticle interaction. These interactions are widely understood to dictate many of the physical properties of soft matter, and for liquids in particular, understanding this network is essential. Consider the sheer volume of ~70 years of literature associated with the hydrogen bond network of water, a topic that remains an active area of research even today. The aim of this work is twofold: first, to put into context prior algorithms and analyses that employed “connectedness theory” or lattice-based models to understand the intermolecular networks of chemical systems; and second to discuss a more general strategy for analyzing the multiscale structural and dynamic properties of chemical systems—intermolecular network theory. This approach encompasses foundational methods such as percolation theory, but also utilizes contemporary graph theoretical analyses that have evolved alongside the development of the World Wide Web, cloud computing, and big data. It is the realm of intermolecular network theory to determine the relationships between the essential physics of a system and the topological properties of the network and to derive new techniques in graph theory that can be related to the underlying physico-chemical or reactive properties of a system. Examples are used throughout this chapter that demonstrate applications to a wide variety of complex chemical systems, including ion association within electrolytes, mass transport and the properties of liquid–liquid phase boundaries, and multicomponent solutions.

Complex networks↗
DOE OSTI2010

The first measurements of soft x-ray flux from ignition scale Hohlraums at the National Ignition Facility using DANTE (invited)

The first 96 and 192 beam vacuum Hohlraum target experiments have been fielded at the National Ignition Facility demonstrating radiation temperatures up to 340 eV and fluxes of 20 TW/sr as viewed by DANTE representing an {approx}20 times flux increase over NOVA/Omega scale Hohlraums. The vacuum Hohlraums were irradiated with 2 ns square laser pulses with energies between 150 and 635 kJ. They produced nearly Planckian spectra with about 30{+-}10% more flux than predicted by the preshot radiation hydrodynamic simulations. To validate these results, careful verification of all component calibrations, cable deconvolution, and software analysis routines has been conducted. In addition, a half Hohlraum experiment was conducted using a single 2 ns long axial quad with an irradiance of {approx}2x10{sup 15} W/cm{sup 2} for comparison with NIF Early Light experiments completed in 2004. We have also completed a conversion efficiency test using a 128-beam nearly uniformly illuminated gold sphere with intensities kept low (at 1x10{sup 14} W/cm{sup 2} over 5 ns) to avoid sensitivity to modeling uncertainties for nonlocal heat conduction and nonlinear absorption mechanisms, to compare with similar intensity, 3 ns OMEGA sphere results. The 2004 and 2009 NIF half-Hohlraums agreed to 10% in flux, but more importantly, the 2006 OMEGA Au Sphere, the 2009 NIF Au sphere, and the calculated Au conversion efficiency agree to {+-}5% in flux, which is estimated to be the absolute calibration accuracy of the DANTEs. Hence we conclude that the 30{+-}10% higher than expected radiation fluxes from the 96 and 192 beam vacuum Hohlraums are attributable to differences in physics of the larger Hohlraums.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2013

Multi-Objective Optimization of a Wrought Magnesium Alloy for High Strength and Ductility

An optimization technique is coupled with crystal plasticity based finite element (CPFE) computations to aid the microstructural design of a wrought magnesium alloy for improved strength and ductility. The initial microstructure consists of a collection of sub-micron sized grains containing deformation twins. The variables used in the simulations are crystallographic texture, and twin spacing within the grains. It is assumed that plastic deformation occurs mainly by dislocation slip on two sets of slip systems classified as hard and soft modes. The hard modes are those slip systems that are inclined to the twin planes and the soft mode consists of dislocation glide along the twin plane. The CPFE code calculates the stress-strain response of the microstructure as a function of the microstructural parameters and the length-scale of the features. A failure criterion based on a critical shear strain and a critical hydrostatic stress is used to define ductility. The optimization is based on the sequential generation of an initial population defined by the texture and twin spacing variables. The CPFE code and the optimizer are coupled in parallel so that new generations are created and analyzed dynamically. In each successive generation, microstructures that satisfy at least 90% of the mean strength and mean ductility in the current generation are retained. Multiple generation runs based on the above procedure are carried out in order to obtain maximum strength-ductility combinations. The implications of the computations for the design of a wrought magnesium alloy are discussed. Research sponsored by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the U. S. Department of Energy.

Radhakrishnan, Balasubramaniam↗
DOE OSTI2017

Genetically Engineered Elastomeric Polymer Network through Protein Zipper Assembly

The rich palette of chemical and functional diversity found within peptides has driven the recent interest in bottom–up assembly of soft polypeptide–based materials. Herein, we describe the creation of a novel helix–elastin like polymer or HELP. HELP marries the specificity of coiled–coil interactions with the elasticity and stimuli–responsive behavior of elastin, a class of polymers with extraordinary elasticity. We used Rosetta to computationally design highly specific protein helical zippers to connect short elastin segments. As a result, the programmed pairing between the helical blocks of two individual chains produced a genetically encoded material that, when deposited on a substrate, formed a flexible and porous 2D planar network with controllable porosity that responds dynamically upon application of stimuli.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Stable and efficient momentum-space solutions of the time-dependent Schrödinger equation for one-dimensional atoms in strong laser fields

One-dimensional model systems have a particular role in strong-field physics when gaining physical insight by computing data over a large range of parameters, or when performing numerous time propagations within, e.g., optimal control theory. Here we derive a scheme that removes a singularity in the one-dimensional Schrödinger equation in momentum space for a particle in the commonly used soft-core Coulomb potential. By using this scheme we develop two numerical approaches to the time-dependent Schrödinger equation in momentum space. The first approach employs the expansion of the momentum-space wave function over the eigenstates of the field-free Hamiltonian, and it is shown to be more efficient for laser parameters usual in strong field physics. The second approach employs the Crank–Nicolson scheme or the method of lines for time-propagation. The both methods are readily applicable for large-scale numerical simulations in one-dimensional model systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

A group finder algorithm optimised for the study of local galaxy environments

Context. The majority of galaxy group catalogues available in the literature use the popular friends-of-friends algorithm which links galaxies using a linking length. One potential drawback to this approach is that clusters of points can be linked with thin bridges which may not be desirable. In order to study galaxy groups, it is important to obtain realistic group structures. Aim. Here, in this study, we present a new simple group finder algorithm, TD-ENCLOSER, that finds the group that encloses a target galaxy of interest. Methods. TD-ENCLOSER is based on the kernel density estimation method which treats each galaxy, represented by a zero-dimensional particle, as a two-dimensional circular Gaussian. The algorithm assigns galaxies to peaks in the density field in order of density in descending order (‘top down’) so that galaxy groups ‘grow’ around the density peaks. Outliers in under-dense regions are prevented from joining groups by a specified hard threshold, while outliers at the group edges are clipped below a soft (blurred) interior density level. Results. The group assignments are largely insensitive to all free parameter variations apart from the hard density threshold and the kernel standard deviation, although this is a known feature of density-based group finder algorithms and it operates with a computing speed that increases linearly with the size of the input sample. In preparation for a companion paper, we also present a simple algorithm to select unique representative groups when duplicates occur. Conclusions. TD-ENCLOSER is tested on a mock galaxy catalogue using a smoothing scale of 0.3 Mpc and is found to be able to recover the input group distribution with sufficient accuracy to be applied to observed galaxy distributions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Supersymmetry with scalar sequestering

Supersymmetric models with a strongly interacting superconformal hidden sector (HS) may drive soft supersymmetry (SUSY) breaking scalar masses, bilinear soft term B μ and Higgs combinations m H u , d 2 + μ 2 to small values at some intermediate scale, leading to unique sparticle mass spectra along with possibly diminished fine-tuning in spite of a large superpotential μ parameter. We set up a computer code to calculate such spectra, which are then susceptible to a variety of constraints: (1) possible charge-or-color breaking (CCB) minima in the scalar potential, (2) unbounded from below (UFB) scalar potential, (3) improper electroweak symmetry breaking, (4) a charged or sneutrino lightest SUSY particle (LSP), (5) generating m h ∼ 125 GeV , (6) consistency with LHC sparticle mass limits, and (7) naturalness. We find this bevy of constraints leaves little or no viable parameter space for the case where hidden sector dynamics dominates minimal supersymmetric standard model (MSSM) running, even for the case of nonuniversal gaugino masses. For the case with moderate HS running with comparable MSSM running, and with universal gaugino masses, then the fine-tuning is ameliorated, but nonetheless remains high. Viable spectra with moderate HS running and with low fine-tuning and large μ can be found for nonuniversal gaugino masses. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2022

Exact Coherent Structures and Phase Space Geometry of Preturbulent 2D Active Nematic Channel Flow

Confined active nematics exhibit rich dynamical behavior, including spontaneous flows, periodic defect dynamics, and chaotic “active turbulence.” Here, we study these phenomena using the framework of exact coherent structures, which has been successful in characterizing the routes to high Reynolds number turbulence of passive fluids. Exact coherent structures are stationary, periodic, quasiperiodic, or traveling wave solutions of the hydrodynamic equations that, together with their invariant manifolds, serve as an organizing template of the dynamics. We compute the dominant exact coherent structures and connecting orbits in a preturbulent active nematic channel flow, which enables a fully nonlinear but highly reduced-order description in terms of a directed graph. Using this reduced representation, we compute instantaneous perturbations that switch the system between disparate spatiotemporal states occupying distant regions of the infinite-dimensional phase space. Overall, our results lay the groundwork for a systematic means of understanding and controlling active nematic flows in the moderate- to high-activity regime.

36 MATERIALS SCIENCE↗
NASA NTRS1996

An Iterative Soft-Decision Decoding Algorithm

This paper presents a new minimum-weight trellis-based soft-decision iterative decoding algorithm for binary linear block codes. Simulation results for the RM(64,22), EBCH(64,24), RM(64,42) and EBCH(64,45) codes show that the proposed decoding algorithm achieves practically (or near) optimal error performance with significant reduction in decoding computational complexity. The average number of search iterations is also small even for low signal-to-noise ratio.

Lin, Shu↗
DOE OSTI2013

Multi-Objective Optimization of a Wrought Magnesium Alloy for High Strength and Ductility

An optimization technique is coupled with crystal plasticity based finite element (CPFE) computations to aid the microstructural design of a wrought magnesium alloy for improved strength and ductility. The initial microstructure consists of a collection of sub-micron sized grains containing deformation twins. The variables used in the simulations are crystallographic texture, and twin spacing within the grains. It is assumed that plastic deformation occurs mainly by dislocation slip on two sets of slip systems classified as hard and soft modes. The hard modes are those slip systems that are inclined to the twin planes and the soft mode consists of dislocation glide along the twin plane. The CPFE code calculates the stress-strain response of the microstructure as a function of the microstructural parameters and the length-scale of the features. A failure criterion based on a critical shear strain and a critical hydrostatic stress is used to define ductility. The optimization is based on the sequential generation of an initial population defined by the texture and twin spacing variables. The CPFE code and the optimizer are coupled in parallel so that new generations are created and analyzed dynamically. In each successive generation, microstructures that satisfy at least 90% of the mean strength and mean ductility in the current generation are retained. Multiple generation runs based on the above procedure are carried out in order to obtain maximum strength-ductility combinations. Finally, the implications of the computations for the design of a wrought magnesium alloy are discussed. Research sponsored by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the U. S. Department of Energy.

36 MATERIALS SCIENCE↗