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At least 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

MARS-F/K modeling of plasma response and fast ion losses due to RMP in KSTAR

Abstract The toroidal single-fluid magnetohydrodynamic (MHD) code MARS-F (Liu et al 2000 Phys. Plasmas 7 3681) and the MHD-kinetic hybrid code MARS-K (Liu et al 2008 Phys. Plasmas 15 112503) are utilized to study the plasma response to the n = 1 ( n is the toroidal mode number) resonant magnetic perturbation (RMP), applied to suppress the type-I edge localized mode (ELM) in a KSTAR discharge. Both the resistive-rotating and ideal-static plasma models identify strong screening of the resonant radial field harmonics of the applied RMP due to the plasma response, and predict a strong edge-peeling response of the plasma which is consistent with the optimal ELM control coil current configuration adopted in experiment. The RMP-induced radial displacement of the plasma, computed by the resistive-rotating plasma model, agrees reasonably well with that reconstructed from the measured data in the plasma core. Taking into account the drift kinetic response of fast ions, MARS-K hybrid modeling also finds quantitative agreement of the plasma core fluid pressure perturbation with experiment. Based on the MARS-F computed plasma response, a guiding-center orbit-tracing simulation finds about 0.3% of fast ion losses due the n = 1 RMP in the KSTAR ELM control experiment considered. Most losses are associated with counter-current fast ions located near the plasma edge.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

High-precision 2MASS JHK{sub s} light curves and other data for RR Lyrae star SDSS J015450 + 001501: Strong constraints for nonlinear pulsation models

We present and discuss an extensive data set for the non-Blazhko ab-type RR Lyrae star SDSS J015450+001501, including optical Sloan Digital Sky Survey ugriz light curves and spectroscopic data, LINEAR and Catalina Sky Survey unfiltered optical light curves, and infrared Two Micron All Sky Survey (2MASS) JHK{sub s} and Wide-field Infrared Survey Explorer W1 and W2 light curves. Most notable is that light curves obtained by 2MASS include close to 9000 photometric measures collected over 3.3 yr and provide an exceedingly precise view of near-infrared variability. These data demonstrate that static atmosphere models are insufficient to explain multiband photometric light-curve behavior and present strong constraints for nonlinear pulsation models for RR Lyrae stars. It is a challenge to modelers to produce theoretical light curves that can explain data presented here, which we make publicly available.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

A Modified Network Alteration Model to Predict Quasi-Static Behavior of the Cross-Linked Polymers During Hydrolytic Aging

Abstract The network alteration theory is utilized to capture the effects of hydrolytic aging on the mechanical integrity of the polymer matrix. Hydrolytic degradation generally considered as a result of two simultaneous chemical phenomena; (i) reduction of the cross-links, and (ii) active chain loss. Assuming the alteration of the chain density is identical to the change of the number average molecular weight along the aging trajectory, the strain energy of polymer matrix can be rewritten as a function of deformation, deformation history, storage time, and aging temperature. The proposed model includes only five physically inspired material parameters. Thus, while it is computationally efficient, it shows good agreement with own experimental data, which performed on various range of accelerated aging temperatures and times. With respect to its computational efficiency, simplicity, accuracy, and interpret-ability, the model is a good choice for advanced implementations in FE programs.

Bahrololoumi, Amir↗
DOE OSTI2025

Frequency-domain modeling of floating wind arrays with shared mooring lines

A frequency-domain model for floating wind turbine dynamics has been extended to model floating wind farms with couplings from shared mooring systems. The model, called RAFT, could previously calculate the mean offsets and wave-induced response spectra for single floating wind turbines. Now, the model supports multiple floating wind turbines, each with their own properties and responses, along with mooring lines that run directly between floating wind turbines in the array, meaning that shared mooring lines or fully suspended dynamic power cables can be included. This capability is achieved by setting up an array-level solution of the system mean offsets and assembling the full system matrices for solving the dynamic response. The quasi-static mooring model MoorPy is used to linearize the mooring system properties. To compute the floating wind turbine relative motions, phase offsets are applied to each turbine's response as a function of wave frequency based on the wavelength and relative positions in the array. These differential motions are then applied to mooring system tension Jacobians to compute the tension loads in the shared mooring lines. Overall, the capability provides a frequency-domain analog to the modeling capabilities of the floating support structure in FAST.Farm. Mean offsets and power spectral density plots of responses are compared between RAFT and FAST.Farm to verify the implementation. The results indicate good agreement within the expectations of a frequency-domain modeling approach and suggest correct implementation of the shared mooring aspects. Additionally, a unique comb-like frequency response in the shared mooring line tensions has been observed. This phenomenon has a clear physical basis and may be an important design consideration for future shared mooring systems.

17 WIND ENERGY↗
NASA NTRS1985

Dynamic and static initialization of a mesoscale model using VAS satellite data

Various mesoscale weather forecast model initialization procedures were tested in seven simulation forecasts for a 12 hr period in July 1981. Attention was given to the impacts of using as input radiosonde data, VISSR Atmospheric Sounder (VAS) data and a combination of VAS and data from a smoothed global analysis. The data were assimilated with successive correction objective analysis procedures. The model had a 60 km horizontal grid-length resolution, 14 layers in the vertical, and accounted for short- and long-wave energy in the surface energy budget but not in the atmosphere. Conventional data were used for the mass and moisture fields. The trials showed that VAS data enhanced the predictions of the temperature and mass variables, while winds were least accurately predicted when VAS data were entered in the initializations. Finally, statically initialized precipitation forecasts from radiosonde and/or VAS data exhibited equal skill.

Beauchamp, J. G.↗
DOE OSTI2025

Investigating Electron Conductivity Regimes in the Bacterial Cytochrome Wire OmcS

The anaerobic bacterium Geobacter sulfurreducens produces extracellular, electronically conductive cytochrome polymer wires that are conductive over micron length scales. Structure models from cryo-electron microscopy data show OmcS wires form a linear chain of hemes along the protein wire axis, which is proposed as the structural basis supporting their electronic properties. However, the mechanism by which this heme arrangement supports long-range electronic conduction remains unknown. Structure models from cryo-electron microscopy data show these wires form a linear chain of hemes along the protein wire axis, which is proposed as the structural basis supporting their electronic properties. Existing computational models using static heme redox potentials and coupling energies fail to explain experimental observations, predicting conductances 10,000 to 100,000 times lower than measured values. Here, we investigate how dynamic disorder affects site energies, interheme coupling, and long-range electronic conductivity within these cytochrome wires. We introduce an approach to extract charge carrier site information directly from Kohn–Sham density functional theory, without employing projector schemes, and show that site and coupling energies are highly sensitive to changes in interheme geometry and the surrounding electrostatic environment. Unlike models that incorporate dynamic disorder as a thermally averaged quantity, our quantum charge carrier model incorporates proxies for dynamic disorder through decoherence corrections, yielding predicted diffusion coefficient closer to what is expected from experiment and comparable with other organic-based electronic materials. Based on these simulations, we propose that the instantaneous fluctuations of the local electrostatic environment can transiently lift energy degeneracies and delocalize charge carriers. Furthermore, these studies reveal how incorporating dynamic fluctuations associated with the environment resolves the discrepancy between theory and experiment in microbial cytochrome wires and highlight design principles for bioinspired, heme-based conductive materials.

Bioinorganic chemistry↗
NASA NTRS1959

Experimental Investigation of the Pressure Rise Required for the Incipient Separation of Turbulent Boundary Layers in Two-Dimensional Supersonic Flow

An experimental investigation has been made of turbulent boundary-layer separation associated with compression corners, curved surfaces of various radii, and incident shock waves. The purpose of the investigation was to provide design information, and to define significant physical trends, which would aid in the prediction of turbulent separation for various aerodynamic devices, such as compressor blades, flaps, spoilers, and diffusers. A characteristic change in the longitudinal static-pressure distribution (i.e., a change from a curve with one inflection point to a curve with three inflection points) was employed to detect the occurrence of separation. The effects of Reynolds number (10(exp 6) to 10(exp 7) per foot or l.5 x 10(exp 4) to 7.5 x 10(exp 4) based upon boundary-layer thickness) and Mach number (1.6 to 4.2) on the onset of turbulent boundary-layer separation were investigated. The pressure gradient of the boundary-layer flow ahead of the interaction region was essentially zero. The results show a considerable effect of Mach number on the pressure rise for incipient separation for all configurations. For a curved-surface model, the static pressure-rise ratio required to cause separation varied from about 2.5, at a Mach number of 2 to about 16, at a Mach number of 3.5. A substantial effect of Reynolds number on the pressure rise for incipient separation was observed in the upper Mach number range and in the lower Reynolds number range; namely, the pressure rise required for separation decreased with increasing Reynolds number. For low Mach numbers and high Reynolds numbers, there appeared to be no Reynolds number effect. The effects of Mach number and of Reynolds number were similar for all models. Model shape was also found to be an important variable affecting the onset of separation. Large gains were realized in the pressure-rise ratio with no separation when the radius of curvature of the model surface was increased. At a Mach number of 3.4, for instance, the pressure-rise ratio with no separation increased from about 5 to 15 as a result of an increase in the radius of curvature from approximately 0 to 30 boundary-layer thicknesses.

Kuehn, Donald M.↗
NASA NTRS1996

Algorithms for Automatic Alignment of Arrays

Aggregate data objects (such as arrays) are distributed across the processor memories when compiling a data-parallel language for a distributed-memory machine. The mapping determines the amount of communication needed to bring operands of parallel operations into alignment with each other. A common approach is to break the mapping into two stages: an alignment that maps all the objects to an abstract template, followed by a distribution that maps the template to the processors. This paper describes algorithms for solving the various facets of the alignment problem: axis and stride alignment, static and mobile offset alignment, and replication labeling. We show that optimal axis and stride alignment is NP-complete for general program graphs, and give a heuristic method that can explore the space of possible solutions in a number of ways. We show that some of these strategies can give better solutions than a simple greedy approach proposed earlier. We also show how local graph contractions can reduce the size of the problem significantly without changing the best solution. This allows more complex and effective heuristics to be used. We show how to model the static offset alignment problem using linear programming, and we show that loop-dependent mobile offset alignment is sometimes necessary for optimum performance. We describe an algorithm with for determining mobile alignments for objects within do loops. We also identify situations in which replicated alignment is either required by the program itself or can be used to improve performance. We describe an algorithm based on network flow that replicates objects so as to minimize the total amount of broadcast communication in replication.

Chatterjee, Siddhartha↗
NASA NTRS1985

Thermal stability of static coronal loops: Part 1: Effects of boundary conditions

The linear stability of static coronal-loop models undergoing thermal perturbations was investigated. The effect of conditions at the loop base on the stability properties of the models was considered in detail. The question of appropriate boundary conditions at the loop base was considered and it was concluded that the most physical assumptions are that the temperature and density (or pressure) perturbations vanish there. However, if the base is taken to be sufficiently deep in the chromosphere, either several chromospheric scale heights or several coronal loop lengths in depth, then the effect of the boundary conditions on loop stability becomes negligible so that all physically acceptable conditions are equally appropriate. For example, one could as well assume that the velocity vanishes at the base. The growth rates and eigenmodes of static models in which gravity is neglected and in which the coronal heating is a relatively simple function, either constant per-unit mass or per-unit volume were calculated. It was found that all such models are unstable with a growth rate of the order of the coronal cooling time. The physical implications of these results for the solar corona and transition region are discussed.

Antiochos, S. K.↗
NASA NTRS1985

Thermal stability of static coronal loops. I - Effects of boundary conditions

The linear stability of static coronal-loop models undergoing thermal perturbations was investigated. The effect of conditions at the loop base on the stability properties of the models was considered in detail. The question of appropriate boundary conditions at the loop base was considered and it was concluded that the most physical assumptions are that the temperature and density (or pressure) perturbations vanish there. However, if the base is taken to be sufficiently deep in the chromosphere, either several chromospheric scale heights or several coronal loop lengths in depth, then the effect of the boundary conditions on loop stability becomes negligible so that all physically acceptable conditions are equally appropriate. For example, one could as well assume that the velocity vanishes at the base. The growth rates and eigenmodes of static models in which gravity is neglected and in which the coronal heating is a relatively simple function, either constant per-unit mass or per-unit volume were calculated. It was found that all such models are unstable with a growth rate of the order of the coronal cooling time. The physical implications of these results for the solar corona and transition region are discussed.

Antiochos, S. K.↗
NASA NTRS1971

Full-scale wind-tunnel tests of a small unpowered jet aircraft with a T-tail

The aerodynamic characteristics of a full scale executive type jet transport aircraft with a T-tail were investigated in a 40 x 80 ft (12.2 by 24.4 meter) wind tunnel (subsonic). Static, longitudinal, and lateral stability, and control characteristics were determined at angles of attack from -2 deg to +42 deg. The aircraft wing had 13 deg of sweep and an aspect ratio of 5.02. The aircraft was tested power off with various wing leading- and trailing-edge high lift devices. The basic configuration was tested with and without such components as engine nacelles, wing tip tanks, and empannage. Hinge-moment data were obtained and downwash angles in the horizontal-tail plane location were calculated. The data were obtained at Reynolds numbers of 4.1 million and 8.7 million based on mean aerodynamic chord. The model had static longitudinal stability through initial stall. Severe tail buffet occurred near the angle of attack for maximum lift. Above initial stall the aircraft had pronounced pitch-up, characteristic of T-tail configurations. A stable trim point was possible at angles of attack between 30 deg and 40 deg (depending on c.g. location and flap setting). Hinge-moment data showed no regions with adverse effects on stick force. Comparisons of wind-tunnel data and flight-test are presented.

Soderman, P. T.↗
NASA NTRS2006

Microgravity and Immunity: Changes in Lymphocyte Gene Expression

Earlier studies had shown that modeled and true microgravity (MG) cause multiple direct effects on human lymphocytes. MG inhibits lymphocyte locomotion, suppresses polyclonal and antigen-specific activation, affects signal transduction mechanisms, as well as activation-induced apoptosis. In this study we assessed changes in gene expression associated with lymphocyte exposure to microgravity in an attempt to identify microgravity-sensitive genes (MGSG) in general and specifically those genes that might be responsible for the functional and structural changes observed earlier. Two sets of experiments targeting different goals were conducted. In the first set, T-lymphocytes from normal donors were activated with antiCD3 and IL2 and then cultured in 1g (static) and modeled MG (MMG) conditions (Rotating Wall Vessel bioreactor) for 24 hours. This setting allowed searching for MGSG by comparison of gene expression patterns in zero and 1 g gravity. In the second set - activated T-cells after culturing for 24 hours in 1g and MMG were exposed three hours before harvesting to a secondary activation stimulus (PHA) thus triggering the apoptotic pathway. Total RNA was extracted using the RNeasy isolation kit (Qiagen, Valencia, CA). Affymetrix Gene Chips (U133A), allowing testing for 18,400 human genes, were used for microarray analysis. In the first set of experiments MMG exposure resulted in altered expression of 89 genes, 10 of them were up-regulated and 79 down-regulated. In the second set, changes in expression were revealed in 85 genes, 20 were up-regulated and 65 were down-regulated. The analysis revealed that significant numbers of MGS genes are associated with signal transduction and apoptotic pathways. Interestingly, the majority of genes that responded by up- or down-regulation in the alternative sets of experiments were not the same, possibly reflecting different functional states of the examined T-lymphocyte populations. The responder genes (MGSG) might play an essential role in adaptation to MG and/or be responsible for pathologic changes encountered in Space and thus represent potential targets for molecular-based countermeasures

Risin, D.↗
DOE OSTI2025

Fabrication of a novel 3D-printed perfusion bioreactor for complex cell culture models

We introduce a novel fabrication method for developing a 3D-printed perfusion bioreactor (3D-PBR) to facilitate the in situ growth and differentiation of human bone marrow (BM)-derived mesenchymal stem cells (MSCs) while enabling coculture with vascular cells. To recapitulate human physiology, in vitro platforms must incorporate several key features of their native target organ. This often entails a supportive 3D architecture for growing and differentiating multiple human cell types in situ under perfusion. Other essential characteristics include reproducibility, ease of customization, and biocompatibility. Our 3D-PBR combines these features and was fabricated using a biocompatible resin-based polymer, which was 3D-printed, followed by the addition of a permeable membrane to create a coculture microenvironment. MSCs were encapsulated in a collagen-fibrin gel alongside human endothelium within the 3D-PBR. The physical cues that our 3D-PBR provided facilitated the differentiation of MSCs into specific lineages, such as adipocytes and osteoblasts. Immunohistochemistry images demonstrated that cells grown in the 3D-PBR exhibited more physiologically relevant BM perivascular niche markers compared to static culture models. Our method utilizes emerging 3D printing techniques and alternative materials, departing from traditional PDMS-based soft lithography. These advancements in fabrication further enhance in vitro platforms for diverse cell culture models and vascular permeability assays.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2014

Geologic Modeling and Simulation Report for the Aquistore Project

The Plains CO 2 Reduction (PCOR) Partnership, through the Energy & Environmental Research Center (EERC), is collaborating with the Petroleum Technology Research Centre (PTRC) on site characterization; modeling and simulation; risk assessment; public outreach; and monitoring, verification, and accounting (MVA) activities for the Aquistore project. The Aquistore project is a carbon capture, utilization, and storage (CCUS) project situated near the town of Estevan, Saskatchewan, Canada, and the U.S.–Canada border. This project is managed by PTRC and will serve as buffer storage of carbon dioxide (CO 2 ) from the SaskPower Boundary Dam CCUS project, the world’s first commercial-scale postcombustion CCUS project from a coal-fired electric generating facility. To date, an injection well and an observation research well (~500 ft apart) have been drilled and completed at the Aquistore site, with injection anticipated to begin in 2014. Using a combination of site characterization data provided by PTRC and independently acquired information, the PCOR Partnership has constructed a static geologic model to assess the potential storage capacity of the Aquistore site and provide the foundation for dynamic simulation. The geologic model and the results of the predictive simulations will be used in the risk assessment process to help define an overall monitoring plan for the project and to assure stakeholders that the injected CO 2 will remain safely stored at the Aquistore site.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2013

Incremental learning for automated knowledge capture

People responding to high-consequence national-security situations need tools to help them make the right decision quickly. The dynamic, time-critical, and ever-changing nature of these situations, especially those involving an adversary, require models of decision support that can dynamically react as a situation unfolds and changes. Automated knowledge capture is a key part of creating individualized models of decision making in many situations because it has been demonstrated as a very robust way to populate computational models of cognition. However, existing automated knowledge capture techniques only populate a knowledge model with data prior to its use, after which the knowledge model is static and unchanging. In contrast, humans, including our national-security adversaries, continually learn, adapt, and create new knowledge as they make decisions and witness their effect. This artificial dichotomy between creation and use exists because the majority of automated knowledge capture techniques are based on traditional batch machine-learning and statistical algorithms. These algorithms are primarily designed to optimize the accuracy of their predictions and only secondarily, if at all, concerned with issues such as speed, memory use, or ability to be incrementally updated. Thus, when new data arrives, batch algorithms used for automated knowledge capture currently require significant recomputation, frequently from scratch, which makes them ill suited for use in dynamic, timecritical, high-consequence decision making environments. In this work we seek to explore and expand upon the capabilities of dynamic, incremental models that can adapt to an ever-changing feature space.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Influence of Deformation on the Energy and Optical Absorption Spectra of Fullerene C{sub 20} within the Hubbard Model

Abstract—Anticommutator Green’s functions and energy spectra of fullerene C{sub 20} with the I{sub h}, D{sub 5d}, and D{sub 3d} symmetry groups have been obtained in an analytical form within the Hubbard model and static fluctuation approximation. The energy states have been classified using the methods of group theory, and the allowed transitions in the energy spectra of fullerene C{sub 20} with the I{sub h}, D{sub 5d}, and D{sub 3d} symmetry groups have been determined. It is also shown how the energy levels of fullerene C{sub 20} with the I{sub h} symmetry group are split with the symmetry reduction.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

SERS Theory: The Chemical Effect of Rhodamine 6G Adsorption on Silver Surfaces on Its Raman Spectrum

The SERS spectra of small organic molecules can be very sensitive to the physisorption or chemisorption of the molecules onto metallic surfaces. However it is challenging to model the results, as typical SERS substrates have a broad distribution of possible surface sites, and the populations of these sites and the SERS enhancement factors associated with them are very difficult to determine, especially when electromagnetic hot spots dominate the observed spectra. However it is important to account for these effects if one is to make a quantitative interpretation of measured SERS spectra. Indeed, the influence of different sites is important to both the electromagnetic and chemical mechanisms in SERS, where the former mechanism is concerned with local field enhancement effects arising from plasmon excitation, while the latter arises from the effect of chemisorption induced charged transfer on the Raman intensities, as can be modeled using static limit Raman intensity calculations[1]. Extensive studies have been performed on simple organics like pyridine bound to gold and silver clusters, and it was found that both the chemical and electrodynamic enhancement factors associated with binding pyridine in various orientations result in noticeable changes in the SERS spectra compared to the gas phase spectrum of pyridine.[2] One of the most important benchmark molecules for SERS and TERS studies is Rhodamine 6G (R6G). This is a strongly fluorescent dye molecule in solution, but when adsorbed onto SERS substrates, its fluorescence is quenched, and the resulting SERS intensities are among the largest observed for any molecule. As a result R6G has played a crucial role in the development of single molecule SERS, and in the development of SERS substrates. [3, 4] Previously, the SERS spectrum of R6G has been modeled as if it were a gas phase molecule. Jensen and Schatz[5] incorporated resonant effects as well as vibronic effects and found that resonance excitation to the S1 excited state of R6G resulted in good agreement with spectra obtained from SERS experiments. In another study, intermolecular charge transfer was studied with R6G bound to a Ag2 cluster.[6] It is unclear if a cluster model as small as two silver atoms can accurately capture the surface effects of a nanoparticle with thousands of atoms. Recent single molecule, ultra high vacuum, tip enhanced Raman spectroscopy (SM-UHV-TERS) measurements for R6G[3] were moderately reproduced by gas phase resonance Raman calculations. Of particular importance in this work was the comparison of TERS spectra at room temperature with those at a low temperature of 10K. It was found that lowering the temperature led to both sharpening of the vibrational spectra, and shifts in the spectra (up to 20 cm-1 with some lines shifting red, some blue and some not at all), suggesting that the molecule transitions from a largely gas phase molecule at room temperature to being strongly chemisorbed at 10K. A potential energy distribution analysis performed by Chulhai and Jensen[3] showed that the modes that were shifted from the gas phase had vibrational activity associated with the ethylamine component of R6G, which is the likely moiety associated with Raman calculations. What remains unresolved concerning the SM-UHV-TERS studies of R6G is direct evidence that the chemical binding of R6G to a silver nanoparticle surfaces causes frequency shifts and/or intensity changes in the Raman scattering intensities of specific modes, especially those involving vibrations of the ethylamine moiety. The theoretical work described in this chapter directly addresses this issue by calculating Raman spectra for R6G interacting with a 20-atom silver cluster, and with a flat Ag(111) surface. Tetrahedral Ag20 is chosen for part of these studies as it provides a model nanoparticle structure that has a well-defined fragment of a (111) surface, as well as having edges and vertices that can be used to model coordinately unsaturated sites on a particle. In addition, Ag20 has been found to provide a reasonable reference structure for determining the chemical contribution to SERS enhancements.[1] Two different geometries of the Ag20/R6G system are considered in the present study, corresponding to two different binding configurations of R6G to a pristine Ag(111) surface. In addition, we study adsorption of R6G on a flat Ag(111) surface of using plane wave DFT calculations to determine optimized geometries and normal mode properties.

77 NANOSCIENCE AND NANOTECHNOLOGY↗