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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

DCE-MRI defined subvolumes of a brain metastatic lesion by principle component analysis and fuzzy-c-means clustering for response assessment of radiation therapy

Purpose: To develop a pharmacokinetic modelfree framework to analyze the dynamic contrast enhanced magnetic resonance imaging (DCE-MRI) data for assessment of response of brain metastases to radiation therapy. Methods: Twenty patients with 45 analyzable brain metastases had MRI scans prior to whole brain radiation therapy (WBRT) and at the end of the 2-week therapy. The volumetric DCE images covering the whole brain were acquired on a 3T scanner with approximately 5 s temporal resolution and a total scan time of about 3 min. DCE curves from all voxels of the 45 brain metastases were normalized and then temporally aligned. A DCE matrix that is constructed from the aligned DCE curves of all voxels of the 45 lesions obtained prior to WBRT is processed by principal component analysis to generate the principal components (PCs). Then, the projection coefficient maps prior to and at the end of WBRT are created for each lesion. Next, a pattern recognition technique, based upon fuzzy-c-means clustering, is used to delineate the tumor subvolumes relating to the value of the significant projection coefficients. The relationship between changes in different tumor subvolumes and treatment response was evaluated to differentiate responsive from stable and progressive tumors. Performance of the PC-defined tumor subvolume was also evaluated by receiver operating characteristic (ROC) analysis in prediction of nonresponsive lesions and compared with physiological-defined tumor subvolumes. Results: The projection coefficient maps of the first three PCs contain almost all response-related information in DCE curves of brain metastases. The first projection coefficient, related to the area under DCE curves, is the major component to determine response while the third one has a complimentary role. In ROC analysis, the area under curve of 0.88 ± 0.05 and 0.86 ± 0.06 were achieved for the PC-defined and physiological-defined tumor subvolume in response assessment. Conclusions: The PC-defined subvolume of a brain metastasis could predict tumor response to therapy similar to the physiological-defined one, while the former is determined more rapidly for clinical decision-making support.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2020

Turbine component and methods of making and cooling a turbine component

A turbine component includes a root and an airfoil extending from the root to a tip opposite the root. The airfoil forms a leading edge and a trailing edge portion extending to a trailing edge. A plurality of axial cooling channels in the trailing edge portion of the airfoil are arranged to permit axial flow of a cooling fluid from an interior of the turbine component at the trailing edge portion to an exterior of the turbine component at the trailing edge portion. A method of making a turbine component includes forming an airfoil having a trailing edge portion with axial cooling channels. The axial cooling channels are arranged to permit axial flow of a cooling fluid from an interior to an exterior of the turbine component at the trailing edge portion. A method of cooling a turbine component is also disclosed.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2022

Turbine component and methods of making and cooling a turbine component

A turbine component includes a root and an airfoil extending from the root to a tip opposite the root. The airfoil forms a leading edge and a trailing edge portion extending to a trailing edge. A plurality of axial cooling channels in the trailing edge portion of the airfoil are arranged to permit axial flow of a cooling fluid from an interior of the turbine component at the trailing edge portion to an exterior of the turbine component at the trailing edge portion. A method of making a turbine component includes forming an airfoil having a trailing edge portion with axial cooling channels. The axial cooling channels are arranged to permit axial flow of a cooling fluid from an interior to an exterior of the turbine component at the trailing edge portion. A method of cooling a turbine component is also disclosed.

Dutta, Sandip↗
DOE OSTI2021

Solvation Dynamics of Wet Ethaline: Water is the Magic Component

The past two decades witnessed the development of a new type of solvent system, named deep eutectic solvents, which have become increasingly investigated because they offer new and potentially favorable properties, such as wide tunability in electrochemical, mechanical, and transport properties. Deep eutectic solvent (DES) systems are composed of at least one main solvent and an additional component that is meant to interrupt the original solvent/solvent interactions, thereby introducing lower melting points relative to each individual component. Ethaline (a 1:2 mole% mixture of choline chloride and ethylene glycol) is one of the most promising DES systems. However, it is also known to be very hygroscopic, which is a constant concern because water absorption during the use of ethaline alters its properties. Within this work, we demonstrate that modest amounts of water addition (1-10%) to ethaline are of little concern for practical use and can even lead to performance improvements, such as accelerated relaxation and solvation. In contrast, very small amounts of <1% of water lead to additional slowing of the solvent response. Thus, we suggest that the attempt to dry ethaline below 1% moisture is rather counter-productive if one attempts to achieve effective solvation and charge transport properties from DESs. This study investigates the effect of water content on the diffusional relaxation dynamics of ethaline. A set of independent spectroscopic experiments and computational simulations are aimed to provide insight into the solvent response of the DES system using femtosecond time-resolved absorption spectroscopy (fs-TA), broadband dielectric spectroscopy (BDS), nuclear magnetic resonance (NMR) diffusometry and broadband relaxometry, and molecular dynamics simulations (MDS) on ethaline with 0, 0.1, 1, 10, and 28.5wt% added water. For dry ethaline, we identify choline chloride as the rate-limiting solvation component in ethaline. However, the role of the solvent components changes gradually as water is added. Further, we provide quantitative solvent relaxation rates using the different presented time-resolved spectroscopic techniques and find remarkable agreement between them. Based on the solvent relaxation rates and combined with MDS, we develop a molecular understanding of the individual solvent components and their interactions in dry and wet ethaline with varying amounts of water content.

25 ENERGY STORAGE↗
DOE OSTI2023

Composite components and methods of manufacturing composite components using magnetic forces at fiber preform seams

A method of manufacturing a composite component according to various aspects of the present disclosure includes disposing a fiber preform in a mold. The fiber preform includes a first portion having a first edge and a second portion having a second edge. The first edge and the second edge cooperate to at least partially define a gap. One of the first portion or the second portion includes a first ferromagnetic material and the other of the first portion or the second portion includes a first magnetic or magnetizable component. The method further includes closing the gap by generating a magnetic field from the first magnetic or magnetizable component. The method further includes injecting a polymer precursor into the mold. The method further includes forming the composite component by solidifying the polymer precursor to form a polymer. The composite component includes the fiber preform and the polymer.

Aitharaju, Venkateshwar R.↗
DOE OSTI2017

Endoribonuclease-Based Two-Component Repressor Systems for Tight Gene Expression Control in Plants

Tight control and multifactorial regulation of gene expression are important challenges in genetic engineering and are critical for the development of regulatory circuits. Meeting these challenges will facilitate transgene expression regulation and support the fine-tuning of metabolic pathways to avoid the accumulation of undesired intermediates. By employing the endoribonuclease Csy4 and its recognition sequence from Pseudomonas aeruginosa and manipulating 5'UTR of mRNA, we developed a two-component expression-repression system to tightly control synthesis of transgene products. We demonstrated that this regulatory device was functional in monocotyledonous and dicotyledonous plant species, and showed that it can be used to repress transgene expression by > 400-fold and to synchronize transgene repression. In addition to tissue-specific transgene repression, this system offers stimuli-dependent expression control. Using a bioinformatics approach, we identified 54 orthologous systems from various bacteria, and then validated in planta the activity for a few of those systems, demonstrating the potential diversity of such a two-component repressor system.

CRISPR/Cas9↗
DOE OSTI2014

Research gaps and technology needs in development of PHM for passive AdvSMR components

Advanced small modular reactors (AdvSMRs), which are based on modularization of advanced reactor concepts, may provide a longer-term alternative to traditional light-water reactors and near-term small modular reactors (SMRs), which are based on integral pressurized water reactor (iPWR) concepts. SMRs are challenged economically because of losses in economy of scale; thus, there is increased motivation to reduce the controllable operations and maintenance costs through automation technologies including prognostics health management (PHM) systems. In this regard, PHM systems have the potential to play a vital role in supporting the deployment of AdvSMRs and face several unique challenges with respect to implementation for passive AdvSMR components. This paper presents a summary of a research gaps and technical needs assessment performed for implementation of PHM for passive AdvSMR components.

42 ENGINEERING↗
DOE OSTI2016

Energy and emissions saving potential of additive manufacturing: the case of lightweight aircraft components

Additive manufacturing (AM) holds great potential for improving materials efficiency, reducing life-cycle impacts, and enabling greater engineering functionality compared to conventional manufacturing (CM), and AM has been increasingly adopted by aircraft component manufacturers for lightweight, cost-effective designs. This study estimates the net changes in life-cycle primary energy and greenhouse gas emissions associated with AM technologies for lightweight metallic aircraft components through the year 2050, to shed light on the environmental benefits of a shift from CM to AM processes in the U.S. aircraft industry. A systems modeling framework is presented, with integrates engineering criteria, life-cycle environmental data, aircraft fleet stock and fuel use models under different AM adoption scenarios. Estimated fleet-wide life-cycle primary energy savings at most reach 70-173 million GJ/year in 2050, with cumulative savings of 1.2–2.8 billion GJ. Associated cumulative GHG emission reductions were estimated at 92.1–215.0 million metric tons. In addition, thousands of tons of aluminum, titanium and nickel alloys could be potentially saved per year in 2050. The results indicate a significant role of AM technologies in helping society meet its long-term energy use and GHG emissions reduction goals, and highlight barriers and opportunities for AM adoption for the aircraft industry.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2015

Approximate singly excited states from a two-component Hartree-Fock reference

For many molecules, relaxing the spin symmetry constraint on the wave function results in the lowest energy mean-field solution. The two-component Hartree-Fock (2cHF) method relaxes all spin symmetry constraints, and the wave function is no longer an eigenfunction of the total spin, spin projection, or time-reversal symmetry operators. For ground state energies, 2cHF is a superior mean-field method for describing spin-frustrated molecules. For excited states, the utility of 2cHF is uncertain. Here, we implement the 2cHF extensions of two single-reference excited state methods, the two-component configuration interaction singles and time-dependent Hartree-Fock. We compare the results to the analogous methods based off of the unrestricted Hartree-Fock approximation, as well as the full configuration interaction for three small molecules with distinct 2cHF solutions, and discuss the nature of the 2cHF excited state solutions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

TWO-COMPONENT STRUCTURE OF THE H{beta} BROAD-LINE REGION IN QUASARS. I. EVIDENCE FROM SPECTRAL PRINCIPAL COMPONENT ANALYSIS

We report on a spectral principal component analysis (SPCA) of a sample of 816 quasars, selected to have small Fe II velocity shifts with spectral coverage in the rest wavelength range 3500-5500 A. The sample is explicitly designed to mitigate spurious effects on SPCA induced by Fe II velocity shifts. We improve the algorithm of SPCA in the literature and introduce a new quantity, the fractional-contribution spectrum, that effectively identifies the emission features encoded in each eigenspectrum. The first eigenspectrum clearly records the power-law continuum and very broad Balmer emission lines. Narrow emission lines dominate the second eigenspectrum. The third eigenspectrum represents the Fe II emission and a component of the Balmer lines with kinematically similar intermediate-velocity widths. Correlations between the weights of the eigenspectra and parametric measurements of line strength and continuum slope confirm the above interpretation for the eigenspectra. Monte Carlo simulations demonstrate the validity of our method to recognize cross talk in SPCA and firmly rule out a single-component model for broad H{beta}. We also present the results of SPCA for four other samples that contain quasars in bins of larger Fe II velocity shift; similar eigenspectra are obtained. We propose that the H{beta}-emitting region has two kinematically distinct components: one with very large velocities whose strength correlates with the continuum shape and another with more modest, intermediate velocities that is closely coupled to the gas that gives rise to Fe II emission.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Stardust Network Measurement Components (esnet-stardust-components) v1

This software contains a set of components that allow us to measure and analyze the use and performance of computer networks using existing off the shelf Open Source components organized into a scalable and extensible system. The components were developed for and used within ESnet's Stardust Measurement Environment. The components are used to collect, process and display network measurement data in an architecture that employs a combination of Elasticsearch, Logstash and Grafana. The advantage of this approach is we can tailor system behavior to our analytical needs and expand its capability with new types of network measurement without waiting for a commercial vendor to support our fairly niche use cases. Additionally we have existing collaborations within our community that came about from prior research efforts that will benefit from the release of this software so that others can also contribute features.

Balas, Edward↗
DOE OSTI2019

Evaluating the Uncertainty of Terrestrial Water Budget Components Over High Mountain Asia

This study explores the uncertainties in terrestrial water budget estimation over High Mountain Asia (HMA) using a suite of uncoupled land surface model (LSM) simulations. The uncertainty in the water balance components of precipitation (P), evapotranspiration (ET), runoff (R), and terrestrial water storage (TWS) is significantly impacted by the uncertainty in the driving meteorology, with precipitation being the most important boundary condition. Ten gridded precipitation datasets along with a mix of model-, satellite-, and gauge-based products, are evaluated first to assess their suitability for LSM simulations over HMA. The datasets are evaluated by quantifying the systematic and random errors of these products as well as the temporal consistency of their trends. Though the broader spatial patterns of precipitation are generally well captured by the datasets, they differ significantly in their means and trends. In general, precipitation datasets that incorporate information from gauges are found to have higher accuracy with low Root Mean Square Errors and high correlation coefficient values. An ensemble of LSM simulations with selected subset of precipitation products is then used to produce the mean annual fluxes and their uncertainty over HMA in P, ET, and R to be 2.11 ± 0.45, 1.26 ± 0.11, and 0.85 ± 0.36 mm per day, respectively. The mean annual estimates of the surface mass (water) balance components from this model ensemble are comparable to global estimates from prior studies. However, the uncertainty/spread of P, ET, and R is significantly larger than the corresponding estimates from global studies. A comparison of ET, snow cover fraction, and changes in TWS estimates against remote sensing-based references confirms the significant role of the input meteorology in influencing the water budget characterization over HMA and points to the need for improving meteorological inputs.

Yoon, Yeosang↗
DOE OSTI2015

Analytical energy gradient for the two-component normalized elimination of the small component method

The analytical gradient for the two-component Normalized Elimination of the Small Component (2c-NESC) method is presented. The 2c-NESC is a Dirac-exact method that employs the exact two-component one-electron Hamiltonian and thus leads to exact Dirac spin-orbit (SO) splittings for one-electron atoms. For many-electron atoms and molecules, the effect of the two-electron SO interaction is modeled by a screened nucleus potential using effective nuclear charges as proposed by Boettger [Phys. Rev. B 62, 7809 (2000)]. The effect of spin-orbit coupling (SOC) on molecular geometries is analyzed utilizing the properties of the frontier orbitals and calculated SO couplings. It is shown that bond lengths can either be lengthened or shortened under the impact of SOC where in the first case the influence of low lying excited states with occupied antibonding orbitals plays a role and in the second case the jj-coupling between occupied antibonding and unoccupied bonding orbitals dominates. In general, the effect of SOC on bond lengths is relatively small (≤5% of the scalar relativistic changes in the bond length). However, large effects are found for van der Waals complexes Hg{sub 2} and Cn{sub 2}, which are due to the admixture of more bonding character to the highest occupied spinors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Ab initio two-component Ehrenfest dynamics

We present an ab initio two-component Ehrenfest-based mixed quantum/classical molecular dynamics method to describe the effect of nuclear motion on the electron spin dynamics (and vice versa) in molecular systems. The two-component time-dependent non-collinear density functional theory is used for the propagation of spin-polarized electrons while the nuclei are treated classically. We use a three-time-step algorithm for the numerical integration of the coupled equations of motion, namely, the velocity Verlet for nuclear motion, the nuclear-position-dependent midpoint Fock update, and the modified midpoint and unitary transformation method for electronic propagation. As a test case, the method is applied to the dissociation of H{sub 2} and O{sub 2}. In contrast to conventional Ehrenfest dynamics, this two-component approach provides a first principles description of the dynamics of non-collinear (e.g., spin-frustrated) magnetic materials, as well as the proper description of spin-state crossover, spin-rotation, and spin-flip dynamics by relaxing the constraint on spin configuration. This method also holds potential for applications to spin transport in molecular or even nanoscale magnetic devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗