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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 1,261 records · Page 70
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Spin Squeezing by Rydberg Dressing in an Array of Atomic Ensembles

Here, we report on the creation of an array of spin-squeezed ensembles of cesium atoms via Rydberg dressing, a technique that offers optical control over local interactions between neutral atoms. We optimize the coherence of the interactions by a stroboscopic dressing sequence that suppresses super-Poissonian loss. We thereby prepare squeezed states of N = 200 atoms with a metrological squeezing parameter ξ 2 = 0.77⁢(9) quantifying the reduction in phase variance below the standard quantum limit. We realize metrological gain across three spatially separated ensembles in parallel, with the strength of squeezing controlled by the local intensity of the dressing light. Our method can be applied to enhance the precision of tests of fundamental physics based on arrays of atomic clocks and to enable quantum-enhanced imaging of electromagnetic fields.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

SU-E-J-71: Feasibility Study On MRI-Based BANG3 Gel Dosimetry Using Dual-Source Parallel RF Transmission System

Purpose: In this work, we present the feasibility of use of the parallel RF transmission with multiple RF source (MultiTransmit) imaging in MRI-based polymer gel dosimetry. Methods: The commercially available BANG3 gel was used for gel dosimetry. Spin-spin relaxation rate R2 was used to quantify the absorbed dose. The image quality (signal-to-noise ratio, SNR; image uniformity) and B1 field inhomogeneity between conventional single-source and MultiTransmit MR imaging were compared. Finally, the estimated R2 uncertainty σ(R2) and dosimetric performance (i.e., dose resolution) between conventional single-source and MultiTransmit MR imaging were compared. Results: Image quality and B1 field homogeneity within each calibration vial and large phantom was statistically better in MultiTransmit imaging than in conventional single-source RF transmission imaging (P < 0.005 for all calibration vials). In particular, σ(R2) (defined as the standard uncertainty of R2) was lower on the MultiTransmit images than on the conventional single-source images. Furthermore, the MultiTransmit measurement gives a lower than that obtained using the conventional single-source method. Conclusion: The improved image quality and B1 homogeneity resulted in reduced dose uncertainty (i.e., σ(R2) and dose resolution) in MRI-based polymer gel dosimetry, suggesting that MultiTransmit MR imaging has potential benefits for use in clinical 3D gel dosimetry without the need for the complicated B1 field correction method.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

WE-A-17A-01: Absorbed Dose Rate-To-Water at the Surface of a Beta-Emitting Planar Ophthalmic Applicator with a Planar, Windowless Extrapolation Chamber

Purpose: Currently there is no primary calibration standard for determining the absorbed dose rate-to-water at the surface of β-emitting concave ophthalmic applicators and plaques. Machining tolerances involved in the design of concave window extrapolation chambers are a limiting factor for development of such a standard. Use of a windowless extrapolation chamber avoids these window-machining tolerance issues. As a windowless extrapolation chamber has never been attempted, this work focuses on proof of principle measurements with a planar, windowless extrapolation chamber to verify the accuracy in comparison to initial calibration, which could be extended to the design of a hemispherical, windowless extrapolation chamber. Methods: The window of an extrapolation chamber defines the electrical field, aids in aligning the source parallel to the collector-guard assembly, and decreases the backscatter due to attenuation of lower electron energy. To create a uniform and parallel electric field in this research, the source was made common to the collector-guard assembly. A precise positioning protocol was designed to enhance the parallelism of the source and collector-guard assembly. Additionally, MCNP5 was used to determine a backscatter correction factor to apply to the calibration. With these issues addressed, the absorbed dose rate-to-water of a Tracerlab 90Sr planar ophthalmic applicator was determined using National Institute of Standards and Technology's (NIST) calibration formalism, and the results of five trials with this source were compared to measurements at NIST with a traditional extrapolation chamber. Results: The absorbed dose rate-to-water of the planar applicator was determined to be 0.473 Gy/s ±0.6%. Comparing these results to NIST's determination of 0.474 Gy/s yields a −0.6% difference. Conclusion: The feasibility of a planar, windowless extrapolation chamber has been demonstrated. A similar principle will be applied to developing a primary calibration standard for concave applicators and plaques. This research is funded by the customers of the University of Wisconsin Accredited Dosimetry Calibration Laboratory.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2016

SU-F-J-93: Automated Segmentation of High-Resolution 3D WholeBrain Spectroscopic MRI for Glioblastoma Treatment Planning

Purpose: We report on an automated segmentation algorithm for defining radiation therapy target volumes using spectroscopic MR images (sMRI) acquired at nominal voxel resolution of 100 microliters. Methods: Wholebrain sMRI combining 3D echo-planar spectroscopic imaging, generalized auto-calibrating partially-parallel acquisitions, and elliptical k-space encoding were conducted on 3T MRI scanner with 32-channel head coil array creating images. Metabolite maps generated include choline (Cho), creatine (Cr), and N-acetylaspartate (NAA), as well as Cho/NAA, Cho/Cr, and NAA/Cr ratio maps. Automated segmentation was achieved by concomitantly considering sMRI metabolite maps with standard contrast enhancing (CE) imaging in a pipeline that first uses the water signal for skull stripping. Subsequently, an initial blob of tumor region is identified by searching for regions of FLAIR abnormalities that also display reduced NAA activity using a mean ratio correlation and morphological filters. These regions are used as starting point for a geodesic level-set refinement that adapts the initial blob to the fine details specific to each metabolite. Results: Accuracy of the segmentation model was tested on a cohort of 12 patients that had sMRI datasets acquired pre, mid and post-treatment, providing a broad range of enhancement patterns. Compared to classical imaging, where heterogeneity in the tumor appearance and shape across posed a greater challenge to the algorithm, sMRI’s regions of abnormal activity were easily detected in the sMRI metabolite maps when combining the detail available in the standard imaging with the local enhancement produced by the metabolites. Results can be imported in the treatment planning, leading in general increase in the target volumes (GTV60) when using sMRI+CE MRI compared to the standard CE MRI alone. Conclusion: Integration of automated segmentation of sMRI metabolite maps into planning is feasible and will likely streamline acceptance of this new acquisition modality in clinical practice.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Power Converter Circuit Design Automation using Parallel Monte Carlo Tree Search

The tidal waves of modern electronic/electrical devices have led to increasing demands for ubiquitous application-specific power converters. A conventional manual design procedure of such power converters is computation- and labor-intensive, which involves selecting and connecting component devices, tuning component-wise parameters and control schemes, and iteratively evaluating and optimizing the design. To automate and speed up this design process, we propose an automatic framework that designs custom power converters from design specifications using Monte Carlo Tree Search. Specifically, the framework embraces the upper-confidence-bound-tree (UCT), a variant of Monte Carlo Tree Search, to automate topology space exploration with circuit design specification-encoded reward signals. Moreover, our UCT-based approach can exploit small offline data via the specially designed default policy and can run in parallel to accelerate topology space exploration. Further, it utilizes a hybrid circuit evaluation strategy to substantially reduce design evaluation costs. Empirically, we demonstrated that our framework could generate energy-efficient circuit topologies for various target voltage conversion ratios. Compared to existing automatic topology optimization strategies, the proposed method is much more computationally efficient --- the sequential version can generate topologies with the same quality while being up to 67% faster. Here, the parallelization schemes can further achieve high speedups compared to the sequential version.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2014

Rexsss Performance Analysis: Domain Decomposition Algorithm Implementations for Resilient Numerical Partial Differential Equation Solvers

The future of extreme-scale computing is expected to magnify the influence of soft faults as a source of inaccuracy or failure in solutions obtained from distributed parallel computations. The development of resilient computational tools represents an essential recourse for understanding the best methods for absorbing the impacts of soft faults without sacrificing solution accuracy. The Rexsss (Resilient Extreme Scale Scientific Simulations) project pursues the development of fault resilient algorithms for solving partial differential equations (PDEs) on distributed systems. Performance analyses of current algorithm implementations assist in the identification of runtime inefficiencies.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

An S N Algorithm for Modern Architectures

LANL discrete ordinates transport packages are required to perform large, computationally intensive time-dependent calculations on massively parallel architectures, where even a single such calculation may need many months to complete. While KBA methods scale out well to very large numbers of compute nodes, we are limited by practical constraints on the number of such nodes we can actually apply to any given calculation. Instead, we describe a modified KBA algorithm that allows realization of the reductions in solution time offered by both the current, and future, architectural changes within a compute node.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Observational Capabilities to Capture Water Cycle Event Dynamics and Impacts in the Age of AI

This whitepaper is responsive to focal area (1) Data acquisition and assimilation enabled by machine learning (ML), Artificial Intelligence (AI), and advanced methods. Here we describe how Earth observations specific to water cycle disturbances can be collected in parallel with and integrated into future model development, and make use of the latest technologies other than AI/ ML such as 5G/satellite, edge computing, big data technologies, and cloud computing.

58 GEOSCIENCES↗
DOE OSTI2021

Development of Passive HC/NOx Trap Catalysts for Low Temperature Gasoline Applications

This project aimed to develop fundamental understanding of the chemistry of NO adsorption and reaction in Pd/zeolites so as to facilitate the rational design of passive NOx adsorber catalysts. The approach adopted combined both experimental and computational methods, which together allow a deeper understanding of the governing chemistry than the use of either method alone. The workflow began with Pd/H-CHA and Pd/H-BEA catalyst synthesis and characterization, in which the Si/Al ratio and Al siting were systematically varied. This was followed by catalyst evaluation using temperature-programed adsorption/desorption methods, as well as in situ spectroscopic measurements to probe the chemistry of NO adsorption. In parallel, the adsorption of NO and other relevant species (H 2 O, CO, HCs) was studied by means of quantum chemical calculations in order to rationalize the experimental data and provide additional insights. Catalyst aging studies were also performed with the aim of elucidating the mechanism of catalyst degradation. Finally, the insights gained in this project were applied to the preparation of an optimized HC/NOx adsorber catalyst, the performance of which was studied using exhaust gas from an engine dynamometer.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Laser-Induced Ultrafast Demagnetization and Spin Switching (Final Report)

The information technology revolution demands bigger and faster magnetic storage devices. The funded research focuses on a new frontier - Laser-induced ultrafast all-optical spin switching (AOS), where a single laser pulse can switch spins from one direction to another permanently, without a magnetic field, on a time scale of 1-10 picoseconds, 2-3 orders of magnitude faster than the existing technology. The funded research has successfully resolved a long-standing issue in ultrafast demagnetization whether the lattice contributes to the demagnetization. We developed a high level first-principles theory and employed a massively parallel computer to pin down the details of the physical mechanisms that are inaccessible to other methods. This unique feature allows us to compute the force on each atom in both bulk and monolayer systems. We find that it is indeed true there is a nonzero force on each atom, but the idea of vibration contribution is not crucial to our basic understanding of physics. This paves the way to future experimental, theoretical and technological developments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Cholesky-based experimental design for Gaussian process and kernel-based emulation and calibration.

Gaussian processes and other kernel-based methods are used extensively to construct approximations of multivariate data sets. The accuracy of these approximations is dependent on the data used. This paper presents a computationally efficient algorithm to greedily select training samples that minimize the weighted L p error of kernel-based approximations for a given number of data. The method successively generates nested samples, with the goal of minimizing the error in high probability regions of densities specified by users. The algorithm presented is extremely simple and can be implemented using existing pivoted Cholesky factorization methods. Training samples are generated in batches which allows training data to be evaluated (labeled) in parallel. For smooth kernels, the algorithm performs comparably with the greedy integrated variance design but has significantly lower complexity. Numerical experiments demonstrate the efficacy of the approach for bounded, unbounded, multi-modal and non-tensor product densities. We also show how to use the proposed algorithm to efficiently generate surrogates for inferring unknown model parameters from data using Bayesian inference.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Systems and methods for thermal imaging technique for measuring mixing of fluids

Systems and methods for thermal imaging for measuring mixing of fluids are provided. In one embodiment, a method for measuring mixing of gaseous fluids using thermal imaging comprises: positioning a thermal test medium parallel to a direction gaseous fluid flow from an outlet vent of a momentum source, wherein when the source is operating, the fluid flows across a surface of the medium; obtaining an ambient temperature value from a baseline thermal image of the surface; obtaining at least one operational thermal image of the surface when the fluid is flowing from the outlet vent across the surface, wherein the fluid has a temperature different than the ambient temperature; and calculating at least one temperature-difference fraction associated with at least a first position on the surface based on a difference between temperature measurements obtained from the at least one operational thermal image and the ambient temperature value.

42 ENGINEERING↗
DOE OSTI2017

Correction for Metastability in the Quantification of PID in Thin-film Module Testing: Preprint

A fundamental change in the analysis for the accelerated stress testing of thin-film modules is proposed, whereby power changes due to metastability and other effects that may occur due to the thermal history are removed from the power measurement that we obtain as a function of the applied stress factor. The power of reference modules normalized to an initial state - undergoing the same thermal and light- exposure history but without the applied stress factor such as humidity or voltage bias - is subtracted from that of the stressed modules. For better understanding and appropriate application in standardized tests, the method is demonstrated and discussed for potential-induced degradation testing in view of the parallel-occurring but unrelated physical mechanisms that can lead to confounding power changes in the module.

14 SOLAR ENERGY↗
DOE OSTI2020

Frequency modulated radio frequency electric field for ion manipulation

A method of manipulating ions comprises injecting ions between a first surface and a second surface positioned parallel to and spaced apart from each other and defining a central axis therebetween, wherein the first surface comprises first outer electrodes coupled to the first surface and a first inner array of electrodes coupled to the first surface and positioned between the first outer electrodes, wherein the second surface comprises second outer electrodes coupled to the second surface and a second inner array of electrodes coupled to the second surface and positioned between the second outer electrodes, and applying a frequency modulated RF voltage to at least one electrode of the first inner array of electrodes or the second inner array of electrodes to confine ions between the first surface and the second surface and to guide ions between the first surface and the second surface along the central axis.

42 ENGINEERING↗
DOE OSTI2019

A Lifeline-Based Approach for Work Requesting and Parallel Particle Advection

Particle advection, a fundamental building block for many flow visualization algorithms, is very difficult to parallelize efficiently. That said, work requesting is a promising technique to improve parallel performance for particle advection. With this work, we introduce a new work requesting-based method which uses the Lifeline scheduling method. To evaluate the impact of this new algorithm, we ran 92 experiments, running at concurrencies as high as 8192 cores, data sets as large as 17 billion cells, and as many as 16 million particles, comparing against other work requesting scheduling methods. Overall, our results show that Lifeline has significantly less idle time than other approaches, since it reduces the number of failed attempts to request work.

Pugmire, Dave↗
DOE OSTI2016

TU-AB-BRC-12: Optimized Parallel MonteCarlo Dose Calculations for Secondary MU Checks

Purpose: Secondary MU checks are an important tool used during a physics review of a treatment plan. Commercial software packages offer varying degrees of theoretical dose calculation accuracy, depending on the modality involved. Dose calculations of VMAT plans are especially prone to error due to the large approximations involved. Monte Carlo (MC) methods are not commonly used due to their long run times. We investigated two methods to increase the computational efficiency of MC dose simulations with the BEAMnrc code. Distributed computing resources, along with optimized code compilation, will allow for accurate and efficient VMAT dose calculations. Methods: The BEAMnrc package was installed on a high performance computing cluster accessible to our clinic. MATLAB and PYTHON scripts were developed to convert a clinical VMAT DICOM plan into BEAMnrc input files. The BEAMnrc installation was optimized by running the VMAT simulations through profiling tools which indicated the behavior of the constituent routines in the code, e.g. the bremsstrahlung splitting routine, and the specified random number generator. This information aided in determining the most efficient compiling parallel configuration for the specific CPU’s available on our cluster, resulting in the fastest VMAT simulation times. Our method was evaluated with calculations involving 10{sup 8} – 10{sup 9} particle histories which are sufficient to verify patient dose using VMAT. Results: Parallelization allowed the calculation of patient dose on the order of 10 – 15 hours with 100 parallel jobs. Due to the compiler optimization process, further speed increases of 23% were achieved when compared with the open-source compiler BEAMnrc packages. Conclusion: Analysis of the BEAMnrc code allowed us to optimize the compiler configuration for VMAT dose calculations. In future work, the optimized MC code, in conjunction with the parallel processing capabilities of BEAMnrc, will be applied to provide accurate and efficient secondary MU checks.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2014

SCoPE: an efficient method of Cosmological Parameter Estimation

Markov Chain Monte Carlo (MCMC) sampler is widely used for cosmological parameter estimation from CMB and other data. However, due to the intrinsic serial nature of the MCMC sampler, convergence is often very slow. Here we present a fast and independently written Monte Carlo method for cosmological parameter estimation named as Slick Cosmological Parameter Estimator (SCoPE), that employs delayed rejection to increase the acceptance rate of a chain, and pre-fetching that helps an individual chain to run on parallel CPUs. An inter-chain covariance update is also incorporated to prevent clustering of the chains allowing faster and better mixing of the chains. We use an adaptive method for covariance calculation to calculate and update the covariance automatically as the chains progress. Our analysis shows that the acceptance probability of each step in SCoPE is more than 95% and the convergence of the chains are faster. Using SCoPE, we carry out some cosmological parameter estimations with different cosmological models using WMAP-9 and Planck results. One of the current research interests in cosmology is quantifying the nature of dark energy. We analyze the cosmological parameters from two illustrative commonly used parameterisations of dark energy models. We also asses primordial helium fraction in the universe can be constrained by the present CMB data from WMAP-9 and Planck. The results from our MCMC analysis on the one hand helps us to understand the workability of the SCoPE better, on the other hand it provides a completely independent estimation of cosmological parameters from WMAP-9 and Planck data.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Spectral quadrature for the first principles study of crystal defects: Application to magnesium

In this work, we present an accurate and efficient finite-difference formulation and parallel implementation of Kohn-Sham Density (Operator) Functional Theory (DFT) for non periodic systems embedded in a bulk environment. Specifically, employing non-local pseudopotentials, local reformulation of electrostatics, and truncation of the spatial Kohn-Sham Hamiltonian, and the Linear Scaling Spectral Quadrature method to solve for the pointwise electronic fields in real-space and the non-local component of the atomic force, we develop a parallel finite difference framework suitable for distributed memory computing architectures to simulate non-periodic systems embedded in a bulk environment. Choosing examples from magnesium-aluminum alloys, we first demonstrate the convergence of energies and forces with respect to spectral quadrature polynomial order, and the width of the spatially truncated Hamiltonian. Next, we demonstrate the parallel scaling of our framework, and show that the computation time and memory scale linearly with respect to the number of atoms. Next, we use the developed framework to simulate isolated point defects and their interactions in magnesium-aluminum alloys. Our findings conclude that the binding energies of divacancies, Al solute-vacancy and two Al solute atoms are anisotropic and are dependent on cell size. Furthermore, the binding is favorable in all three cases.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗