SEARCH · Search NASA

Results for “correlation screening”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 379 records · Page 21

All sources NASA NTRS DOE OSTI

DOE OSTI2016

Unified concept of effective one component plasma for hot dense plasmas

Orbital-free molecular dynamics simulations are used to benchmark two popular models for hot dense plasmas: the one component plasma (OCP) and the Yukawa model. A unified concept emerges where an effective OCP (EOCP) is constructed from the short-range structure of the plasma. An unambiguous ionization and the screening length can be defined and used for a Yukawa system, which reproduces the long-range structure with finite compressibility. Similarly, the dispersion relation of longitudinal waves is consistent with the screened model at vanishing wave number but merges with the OCP at high wave number. Additionally, the EOCP reproduces the overall relaxation time scales of the correlation functions associated with ionic motion. Lastly, in the hot dense regime, this unified concept of EOCP can be fruitfully applied to deduce properties such as the equation of state, ionic transport coefficients, and the ion feature in x-ray Thomson scattering experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1990

Sea level static calibration of a compact multimission aircraft propulsion simulator with inlet flow distortion

Wind tunnel tests of propulsion-integrated aircraft models have identified inlet flow distortion as a major source of compressor airflow measurement error in turbine-powered propulsion simulators. Consequently, two Compact Multimission Aircraft Propulsion Simulator (CMAPS) units were statically tested at sea level ambient conditions to establish simulator operating performance characteristics and to calibrate the compressor airflow against an accurate bellmouth flowmeter in the presence of inlet flow distortions. The distortions were generated using various-shaped wire mesh screens placed upstream of the compressor. CMAPS operating maps and performance envelopes were obtained for inlet total pressure distortions (ratio of the difference between the maximum and minimum total pressures to the average total pressure) up to 35 percent, and were compared to baseline simulator operating characteristics for a uniform inlet. Deviations from CMAPS baseline performance were attributed to the coupled variation of both compressor inlet-flow distortion and Reynolds number index throughout the simulator operating envelope for each screen configuration. Four independent methods were used to determine CMAPS compressor airflow; direct compressor inlet and discharge measurements, an entering/exiting flow-balance relationships, and a correlation between the mixer pressure and the corrected compressor airflow. Of the four methods, the last yielded the least scatter in the compressor flow coefficient, approximately + or - 3 percent over the range of flow distortions.

Won, Mark J.↗

DOE OSTI2023

Revealing quasi-excitations in the low-density homogeneous electron gas with model exchange–correlation kernels

Time-dependent density functional theory within the linear response regime provides a solid mathematical framework to capture excitations. The accuracy of the theory, however, largely depends on the approximations for the exchange–correlation (xc) kernels. Away from the long-wavelength (or q = 0 short wave-vector) and zero-frequency (ω = 0) limit, the correlation contribution to the kernel becomes more relevant and dominant over exchange. The dielectric function, in principle, can encompass xc effects relevant to describe low-density physics. Furthermore, besides collective plasmon excitations, the dielectric function can reveal collective electron–hole excitations, often dubbed “ghost excitons.” Besides collective excitons, the physics of the low-density regime is rich, as exemplified by a static charge-density wave that was recently found for r s > 69, and was shown to be associated with softening of the plasmon mode. These excitations are seen to be present in much higher density 2D homogeneous electron gases of r s ≳ 4. Here, in this work, we perform a thorough analysis with xc model kernels for excitations of various nature. The uniform electron gas, as a useful model of real metallic systems, is used as a platform for our analysis. We highlight the relevance of exact constraints as we display and explain screening and excitations in the low-density region.

36 MATERIALS SCIENCE↗

NASA NTRS2012

Cloud Screening and Quality Control Algorithm for Star Photometer Data: Assessment with Lidar Measurements and with All-sky Images

This paper presents the development and set up of a cloud screening and data quality control algorithm for a star photometer based on CCD camera as detector. These algorithms are necessary for passive remote sensing techniques to retrieve the columnar aerosol optical depth, delta Ae(lambda), and precipitable water vapor content, W, at nighttime. This cloud screening procedure consists of calculating moving averages of delta Ae() and W under different time-windows combined with a procedure for detecting outliers. Additionally, to avoid undesirable Ae(lambda) and W fluctuations caused by the atmospheric turbulence, the data are averaged on 30 min. The algorithm is applied to the star photometer deployed in the city of Granada (37.16 N, 3.60 W, 680 ma.s.l.; South-East of Spain) for the measurements acquired between March 2007 and September 2009. The algorithm is evaluated with correlative measurements registered by a lidar system and also with all-sky images obtained at the sunset and sunrise of the previous and following days. Promising results are obtained detecting cloud-affected data. Additionally, the cloud screening algorithm has been evaluated under different aerosol conditions including Saharan dust intrusion, biomass burning and pollution events.

data quality control algorithm↗

NASA NTRS1991

Optical correlator method and apparatus for particle image velocimetry processing

Young's fringes are produced from a double exposure image of particles in a flowing fluid by passing laser light through the film and projecting the light onto a screen. A video camera receives the image from the screen and controls a spatial light modulator. The spatial modulator has a two dimensional array of cells the transmissiveness of which are controlled in relation to the brightness of the corresponding pixel of the video camera image of the screen. A collimated beam of laser light is passed through the spatial light modulator to produce a diffraction pattern which is focused onto another video camera, with the output of the camera being digitized and provided to a microcomputer. The diffraction pattern formed when the laser light is passed through the spatial light modulator and is focused to a point corresponds to the two dimensional Fourier transform of the Young's fringe pattern projected onto the screen. The data obtained fro This invention was made with U.S. Government support awarded by the Department of the Army (DOD) and NASA grand number(s): DOD #DAAL03-86-K0174 and NASA #NAG3-718. The U.S. Government has certain rights in this invention.

Farrell, Patrick V.↗

DOE OSTI2020

Progress Report on Graphite-Salt Intrusion Studies

The document reports on the design, construction, testing and initial operation of the ORNL graphite intrusion system with pressurized molten salts. This technical memorandum is responsive to work package AT-20OR04060203, “Graphite-Salt Studies” —ORNL”, and fulfills Milestone M3AT20OR040602035 “Report on graphite-salt intrusion studies”.The report outlines the procedure of graphite intrusion experiments, which follows the ASTM standard guidance, and the procedures of other characterization measurements of graphite physical properties, also based on ASTM standard methods. A set of 12 graphite grades of various origin and properties went through preliminary characterizations, and six of them were further selected for intrusion experiments with molten FLiNaK. The results are discussed in the context of graphite physical properties and are compared with a several results from literature. The correlation between molten salt impregnation and mercury intrusion, first proposed by MSRE scientists, is discussed in detail. Pending collection of more data, the mercury intrusion porosimetry technique may possibly be used as a rapid method for screening and down selection of graphite grades with extremely low salt intrusion, as required for operation in molten salt reactors. This new system will generate data non only on intrusion behavior, but will also generate a wide range of salt- impregnated graphite samples that will be further analyzed with advanced characterization techniques for better understanding of the effect of salt intrusion on the properties of nuclear graphite. It expected that these results and future results obtained with this system will help advance our understanding of the factors controlling the extent of salt penetration in graphite and of the relationship with intrinsic structural properties of various grades. Together, correlating direct measurements results and graphite structural properties should allow development of a predictable model that could be used for selection and qualification of optimal graphite grades, tailored to design operation conditions and molten salt properties.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

Profiling expression strategies for a type III polyketide synthase in a lysate-based, cell-free system

Abstract Some of the most metabolically diverse species of bacteria (e.g., Actinobacteria) have higher GC content in their DNA, differ substantially in codon usage, and have distinct protein folding environments compared to tractable expression hosts like Escherichia coli . Consequentially, expressing biosynthetic gene clusters (BGCs) from these bacteria in E. coli often results in a myriad of unpredictable issues with regard to protein expression and folding, delaying the biochemical characterization of new natural products. Current strategies to achieve soluble, active expression of these enzymes in tractable hosts can be a lengthy trial-and-error process. Cell-free expression (CFE) has emerged as a valuable expression platform as a testbed for rapid prototyping expression parameters. Here, we use a type III polyketide synthase from Streptomyces griseus , RppA, which catalyzes the formation of the red pigment flaviolin, as a reporter to investigate BGC refactoring techniques. We applied a library of constructs with different combinations of promoters and rppA coding sequences to investigate the synergies between promoter and codon usage. Subsequently, we assess the utility of cell-free systems for prototyping these refactoring tactics prior to their implementation in cells. Overall, codon harmonization improves natural product synthesis more than traditional codon optimization across cell-free and cellular environments. More importantly, the choice of coding sequences and promoters impact protein expression synergistically, which should be considered for future efforts to use CFE for high-yield protein expression. The promoter strategy when applied to RppA was not completely correlated with that observed with GFP, indicating that different promoter strategies should be applied for different proteins. In vivo experiments suggest that there is correlation, but not complete alignment between expressing in cell free and in vivo. Refactoring promoters and/or coding sequences via CFE can be a valuable strategy to rapidly screen for catalytically functional production of enzymes from BCGs, which advances CFE as a tool for natural product research.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2015

Effective charges and virial pressure of concentrated macroion solutions

The stability of colloidal suspensions is crucial in a wide variety of processes, including the fabrication of photonic materials and scaffolds for biological assemblies. The ionic strength of the electrolyte that suspends charged colloids is widely used to control the physical properties of colloidal suspensions. The extensively used two-body Derjaguin-Landau-Verwey-Overbeek (DLVO) approach allows for a quantitative analysis of the effective electrostatic forces between colloidal particles. DLVO relates the ionic double layers, which enclose the particles, to their effective electrostatic repulsion. Nevertheless, the double layer is distorted at high macroion volume fractions. Therefore, DLVO cannot describe the many-body effects that arise in concentrated suspensions. In this paper, we show that this problem can be largely resolved by identifying effective point charges for the macroions using cell theory. This extrapolated point charge (EPC) method assigns effective point charges in a consistent way, taking into account the excluded volume of highly charged macroions at any concentration, and thereby naturally accounting for high volume fractions in both salt-free and added-salt conditions. We provide an analytical expression for the effective pair potential and validate the EPC method by comparing molecular dynamics simulations of macroions and monovalent microions that interact via Coulombic potentials to simulations of macroions interacting via the derived EPC effective potential. The simulations reproduce the macroion-macroion spatial correlation and the virial pressure obtained with the EPC model. Finally, our findings provide a route to relate the physical properties such as pressure in systems of screened Coulomb particles to experimental measurements.

36 MATERIALS SCIENCE↗

DOE OSTI2015

Evolution of spatial resolution in breast CT at UC Davis

Purpose: Dedicated breast computed tomography (bCT) technology for the purpose of breast cancer screening has been a focus of research at UC Davis since the late 1990s. Previous studies have shown that improvement in spatial resolution characteristics of this modality correlates with greater microcalcification detection, a factor considered a potential limitation of bCT. The aim of this study is to improve spatial resolution as characterized by the modulation transfer function (MTF) via changes in the scanner hardware components and operational schema. Methods: Four prototypes of pendant-geometry, cone-beam breast CT scanners were designed and developed spanning three generations of design evolution. To improve the system MTF in each bCT generation, modifications were made to the imaging components (x-ray tube and flat-panel detector), system geometry (source-to-isocenter and detector distance), and image acquisition parameters (technique factors, number of projections, system synchronization scheme, and gantry rotational speed). Results: Characterization of different generations of bCT systems shows these modifications resulted in a 188% improvement of the limiting MTF properties from the first to second generation and an additional 110% from the second to third. The intrinsic resolution degradation in the azimuthal direction observed in the first generation was corrected by changing the acquisition from continuous to pulsed x-ray acquisition. Utilizing a high resolution detector in the third generation, along with modifications made in system geometry and scan protocol, resulted in a 125% improvement in limiting resolution. An additional 39% improvement was obtained by changing the detector binning mode from 2 × 2 to 1 × 1. Conclusions: These results underscore the advancement in spatial resolution characteristics of breast CT technology. The combined use of a pulsed x-ray system, higher resolution flat-panel detector and changing the scanner geometry and image acquisition logic resulted in a significant fourfold improvement in MTF.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2014

Large scale simulations of the mechanical properties of layered transition metal ternary compounds for fossil energy power system applications

Advanced materials with applications in extreme conditions such as high temperature, high pressure, and corrosive environments play a critical role in the development of new technologies to significantly improve the performance of different types of power plants. Materials that are currently employed in fossil energy conversion systems are typically the Ni-based alloys and stainless steels that have already reached their ultimate performance limits. Incremental improvements are unlikely to meet the more stringent requirements aimed at increased efficiency and reduce risks while addressing environmental concerns and keeping costs low. Computational studies can lead the way in the search for novel materials or for significant improvements in existing materials that can meet such requirements. Detailed computational studies with sufficient predictive power can provide an atomistic level understanding of the key characteristics that lead to desirable properties. This project focuses on the comprehensive study of a new class of materials called MAX phases, or M n+1 AX n (M = a transition metal, A = Al or other group III, IV, and V elements, X = C or N). The MAX phases are layered transition metal carbides or nitrides with a rare combination of metallic and ceramic properties. Due to their unique structural arrangements and special types of bonding, these thermodynamically stable alloys possess some of the most outstanding properties. We used a genomic approach in screening a large number of potential MAX phases and established a database for 665 viable MAX compounds on the structure, mechanical and electronic properties and investigated the correlations between them. This database if then used as a tool for materials informatics for further exploration of this class of intermetallic compounds.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Proximity-Induced Superconductivity in a 2D Kondo Lattice of an f -Electron-Based Surface Alloy

Realizing hybrids of low-dimensional Kondo lattices and superconducting substrates leads to fascinating platforms for studying the exciting physics of strongly correlated electron systems with induced superconducting pairing. Here, we report a scanning tunneling microscopy and spectroscopy study of a new type of two-dimensional (2D) La–Ce alloy grown epitaxially on a superconducting Re(0001) substrate. We observe the characteristic spectroscopic signature of a hybridization gap evidencing the coherent spin screening in the 2D Kondo lattice realized by the ultrathin La–Ce alloy film on normal conducting Re(0001). Upon lowering the temperature below the critical temperature of rhenium, a superconducting gap is induced exhibiting an energy asymmetry of the coherence peaks that arises from the interaction of residual unscreened magnetic moments with the superconducting substrate. A positive correlation between the Kondo hybridization gap and the asymmetry of the coherence peaks is found.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2018

Competing antiferromagnetic phases of the under-screened Anderson lattice model (INVITED)

Here, we investigate the magnetic phases of the Under-screened Anderson Lattice Model (UALM) for nearly half-filled 5f bands and find a competition between two distinct magnetic phases. The version of the UALM that we consider consists of two correlated 5f bands that, in the paramagnetic state, hybridize with a single conduction band. At the Néel temperature, the paramagnetic state undergoes a second-order transition to antiferromagnetically ordered states, in which the Néel order parameter induces a mixing between the states with different 5f characters. As pressure is applied, there is a line of first-order transitions that separates two Néel phases. Furthermore, as the pressure is increased, the Néel temperature decreases as if the system is being driven towards a quantum critical point. However, the nature of the paramagnetic instability changes from second-order to first-order before the Neel temperature reaches absolute zero.

uranium compounds↗

DOE OSTI2013

Theoretical modeling of the uranium 4f XPS for U(VI) and U(IV) oxides

A rigorous study is presented of the physical processes related to X-Ray photoelectron spectroscopy, XPS, in the 4f level of U oxides, which, as well as being of physical interest in themselves, are representative of XPS in heavy metal oxides. In particular, we present compelling evidence for a new view of the screening of core-holes that extends prior understandings. Our analysis of the screening focuses on the covalent mixing of high lying U and O orbitals as opposed to the, more common, use of orbitals that are nominally pure U or pure O. It is shown that this covalent mixing is quite different for the initial and final, core-hole, configurations and that this difference is directly related to the XPS satellite intensity. Furthermore, we show that the high-lying U d orbitals as well as the U(5f) orbital may both contribute to the core-hole screening, in contrast with previous work that has only considered screening through the U(5f) shell. The role of modifying the U-O interaction by changing the U-O distance has been investigated and an unexpected correlation between U-O distance and XPS satellite intensity has been discovered. The role of flourite and octahedral crystal structures for U(IV) oxides has been examined and relationships established between XPS features and the covalent interactions in the different structures. The physical views of XPS satellites as arising from shake processes or as arising from ligand to metal charge transfers are contrasted; our analysis provides strong support that shake processes give a more fundamental physical understanding than charge transfer. Our theoretical studies are based on rigorous, strictly ab initio determinations of the electronic structure of embedded cluster models of U oxides with formal U(VI) and U(IV) oxidation states. Our results provide a foundation that makes it possible to establish quantitative relationships between features of the XPS spectra and materials properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2015

Unified description of linear screening in dense plasmas

Electron screening of ions is among the most fundamental properties of plasmas, determining the effective ionic interactions that impact all properties of a plasma. With the development of new experimental facilities that probe high-energy-density physics regimes ranging from warm dense matter to hot dense matter, a unified framework for describing dense plasma screening has become essential. Such a unified framework is presented here based on finite-temperature orbital-free density functional theory, including gradient corrections and exchange-correlation effects. We find a new analytic pair potential for the ion-ion interaction that incorporates moderate electronic coupling, quantum degeneracy, gradient corrections to the free energy, and finite temperatures. This potential can be used in large-scale “classical” molecular dynamics simulations, as well as in simpler theoretical models (e.g., integral equations and Monte Carlo), with no additional computational complexity. The new potential theoretically connects limits of Debye-Hückel–Yukawa, Lindhard, Thomas-Fermi, and Bohmian quantum hydrodynamics descriptions. In conclusion, based on this new potential, we predict ionic static structure factors that can be validated using x-ray Thomson scattering data.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2018

Ubiquitin C-Terminal Hydrolase L1 regulates autophagy by inhibiting autophagosome formation through its deubiquitinating enzyme activity

Highlights: • UCHL1 interacts with LC3 and inhibits autophagosome formation. • UCHL1 Parkinson mutant I93 M abolishes to suppress autophagosome formation. • UCHL1 inhibitors LDN-57444 and NSC632839 promote autophagosome formation in cells. Ubiquitination modification has been shown to play a key role in autophagy. Increasing studies reported the involvement of de-ubiquitinating enzymes (DUBs) in autophagy pathway. To systematically search how DUBs manipulate autophagy, we utilized a double fluorescence tagged LC3 stable HeLa cell line, and did a genome wide screen of 55 human DUBs which is about 60% coverage of the DUB family. We found a bunch of DUBs have impact on autophagy by either changing the LC3 puncta formation or the autophagy flux. One of them, Ubiquitin C-Terminal Hydrolase L1 (UCHL1) correlated to Parkinson's disease, strongly affects autophagy by inhibiting autophagosome formation. We found UCHL1 overexpression inhibits LC3 puncta formation and is dependent on its DUB activity. Knockdown of UCHL1 significantly promotes LC3 puncta formation. Further study revealed that UCHL1 may affect autophagy by interacting with LC3 but not other autophagy related proteins. Interestingly, a Parkinson's disease related mutant UCHL1 I93 M defects its DUB activity and can no longer inhibit autophagosome formation. We further screened 22 commercially available DUB inhibitors and found two potent UCHL1 inhibitors LDN-57444 (LDN) and NSC632839 (NSC), when treating cells, both strongly induce LC3 puncta formation. Taken together, our results indicated a new insight into the manner in which DUB regulates autophagy and provided potential drugs for the Parkinson's disease.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2025

Local charge-screening and polarization switching in a ferroelectric ionic-superconductor

For ferroelectric ionic-conductors, polarization switching is complicated by the interplay between ion mobility and charge screening effects. When the ionic charge carriers also play a key role in the domain reversal, such as in Rb-doped KTiOPO 4 (RKTP), a higher level of complexity is introduced. RKTP provides an ideal platform for investigating the relationship between ionic conductivity and polarization reversal because its highly anisotropic crystal properties allow selective modification of material characteristics through diffusive cation doping. Here, we use indiffused Ba/K doping to create a significant increase in the ionic conductivity. Time-of-flight secondary ion mass spectrometry is employed to map Ba/K doping within the RKTP crystal and correlate it to changes in ionic mobility and polarization switching characteristics under an external field applied to the nonpolar face. Using band-excitation piezoresponse force microscopy, we demonstrate a selective switching-inhibition mechanism driven by the enhanced charge screening.

36 MATERIALS SCIENCE↗

DOE OSTI2012

Progress on the development of new correlations under the framework of the IAEA Coordinated Research Programme on heat transfer in SCWR's

This paper begins with an introduction designed to provide researchers who are new to field of heat transfer to fluids at supercritical pressure with a brief picture of early developments, and to set the scene for the review of work on the development of new correlations for such fluids under the framework of the IAEA CRP. These are needed because of the active consideration now being given to water-cooled nuclear reactors operating at pressures above the critical value. Work on the development of a trans-critical look-up table aimed at covering the region near the critical point is outlined. A very large heat transfer databank has been compiled and subjected to a thorough screening process. It covers a wide range of conditions and has been used for the assessment of the performance of a number of empirical equations. A detailed error analysis was carried out for the most promising ones and an examination of parametric trends was made. A new correlation is described which has been specifically designed to combine simplicity of structure, explicit connection with physically-based phenomena whilst being able to cover both normal and deteriorated heat transfer conditions. It avoids direct dependence of heat transfer coefficient on wall temperature. The performance of this correlation was evaluated using the data set of Herkenrath et al for water at supercritical pressure. Results from a recent experimental study of heat transfer to carbon dioxide at supercritical pressure under conditions of mixed convection have been used to develop a set of equations to describe the general behaviour observed. Comparisons are made between the performance of a number of equations and the data from the carbon dioxide experiments and also some for water. Finally, the development is outlined of physically-based, semi-empirical models aimed at extending an empirical equation for variable property forced convection heat transfer to fluids at supercritical pressure to account for influences of buoyancy and flow acceleration. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2024

A framework of computer vision-enhanced microfluidic approach for automated assessment of the transient sickling kinetics in sickle red blood cells

The occurrence of vaso-occlusive crisis greatly depends on the competition between the sickling delay time and the transit time of individual sickle cells, i.e., red blood cells from sickle cell disease (SCD) patients, while they are traversing the circulatory system. Many drugs for treating SCD work by inhibiting the polymerization of sickle hemoglobin (HbS), effectively delaying the sickling process in sickle cells (SS RBCs). Most previous studies on screening anti-sickling drugs, such as voxelotor, rely on in vitro testing of sickling characteristics, often conducted under prolonged deoxygenation for up to 1 hour. However, since the microcirculation of RBCs typically takes less than 1 minute, the results of these studies may be less accurate and less relevant for in vitro-in vivo correlation. In our current study, we introduce a computer vision-enhanced microfluidic framework designed to automatically capture the transient sickling kinetics of SS RBCs within a 1-min timeframe. Our study has successfully detected differences in the transient sickling kinetics between vehicle control and voxelotor-treated SS RBCs. This approach has the potential for broader applications in screening anti-sickling therapies.

59 BASIC BIOLOGICAL SCIENCES↗