Search NASA⌕ Search

SEARCH · Search NASA

Results for “FUNDAMENTAL”

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.

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

At least 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Fundamental limitations in the purifications of tensor networks

We show a fundamental limitation in the description of quantum many-body mixed states with tensor networks in purification form. Namely, we show that there exist mixed states which can be represented as a translationally invariant (TI) matrix product density operator valid for all system sizes, but for which there does not exist a TI purification valid for all system sizes. The proof is based on an undecidable problem and on the uniqueness of canonical forms of matrix product states. The result also holds for classical states.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

The relative entropy is fundamental to adaptive resolution simulations

Adaptive resolution techniques are powerful methods for the efficient simulation of soft matter systems in which they simultaneously employ atomistic and coarse-grained (CG) force fields. In such simulations, two regions with different resolutions are coupled with each other via a hybrid transition region, and particles change their description on the fly when crossing this boundary. Here we show that the relative entropy, which provides a fundamental basis for many approaches in systematic coarse-graining, is also an effective instrument for the understanding of adaptive resolution simulation methodologies. We demonstrate that the use of coarse-grained potentials which minimize the relative entropy with respect to the atomistic system can help achieve a smoother transition between the different regions within the adaptive setup. Furthermore, we derive a quantitative relation between the width of the hybrid region and the seamlessness of the coupling. Our results do not only shed light on the what and how of adaptive resolution techniques but will also help setting up such simulations in an optimal manner.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Characterization of a new Hencken burner with a transition from a reducing-to-oxidizing environment for fundamental coal studies

In pulverized coal burners, coal particles usually transition from a locally reducing environment to an oxidizing environment. The locally reducing environment in the near-burner region is due to a dense region of coal particles undergoing devolatilization. Following this region, the particles move into an oxidizing environment. This “reducing-to-oxidizing” transition can influence combustion processes such as ignition, particulate formation, and char burnout. To understand these processes at a fundamental level, a system is required that mimics such a transition. Hence, we have developed and characterized a two-stage Hencken burner to evaluate the effect of the reducing-to-oxidizing transition and particle-to-particle interaction (which characterizes dense region of coal particles) on ignition and ultrafine aerosol formation. The two-stage Hencken burner allows coal particles to experience a reducing environment followed by a transition to an oxidizing environment. Here, this work presents the results of the design and characterization of the new two-stage Hencken burner and its new coal feeder. In a unique approach to the operation of the flat-flame of the Hencken burner, the flame configurations are operated as either a normal flame or inverse flame. Gas temperatures and oxygen concentrations for the Hencken burner are measured in reducing-to-oxidizing and oxidizing environments. The results show that stable flames with well-controlled conditions, relatively uniform temperatures, and species concentrations can be achieved in both flame configurations. This new Hencken burner provides an effective system for evaluating the effect of the reducing-to-oxidizing transition and particle-to-particle interaction on early-stage processes of coal combustion such as ignition and ultrafine particle formation.

47 OTHER INSTRUMENTATION↗
DOE OSTI2018

Molecular dynamics studies of fundamental bulk properties of palladium hydrides for hydrogen storage

Solid-state hydrogen storage materials undergo complex phase transformations whose behavior are collectively determined by thermodynamic (e.g., Gibbs free energy), mechanical (e.g., lattice and elastic constants), and mass transport (e.g., diffusivity) properties. These properties depend on the reaction conditions and evolve continuously during (de)hydrogenation. Thus, they are difficult to measure in experiments. Because of this, past progress to improve solid-state hydrogen storage materials has been prolonged. Using PdH x as a representative example for interstitial metal hydride, we have recently applied molecular dynamics simulations to quantify hydrogen diffusion in the entire reaction space of temperature and composition. In this paper, we have further applied molecular dynamics simulations to obtain well-converged expressions for lattice constants, Gibbs free energies, and elastic constants of PdH x at various stages of the reaction. Finally, our studies confirm significant dependence of elastic constants on temperature and composition. Specifically, a new dynamic effect of hydrogen diffusion on elastic constants is discovered and discussed.

08 HYDROGEN↗
DOE OSTI2018

Perspective: Fundamentals of coalescence-related dislocations, applied to selective-area growth and other epitaxial films

Although selective area growth (SAG) and coalesced SAG (cSAG) have been utilized extensively for many years to moderate the material quality of lattice-mismatched films, the geometrical factors controlling dislocations in coalesced films are difficult to visualize, and some confusion regarding the topology of dislocations for cSAG still persists. In this paper, we describe the topology of dislocations during island coalescence for cSAG, framed in terms of fundamental dislocation properties and virtual dislocations, which are used as a helpful visualization tool. In conclusion, we also show how the results and methods are generally applicable to coalescence of any other epitaxial film.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Radiative sky cooling: Fundamental principles, materials, and applications

Radiative sky cooling cools an object on the earth by emitting thermal infrared radiation to the cold universe through the atmospheric window (8–13 μm). It consumes no electricity and has great potential to be explored for cooling of buildings, vehicles, solar cells, and even thermal power plants. Radiative sky cooling has been explored in the past few decades but limited to nighttime use only. Very recently, owing to the progress in nanophotonics and metamaterials, daytime radiative sky cooling to achieve subambient temperatures under direct sunlight has been experimentally demonstrated. More excitingly, the manufacturing of the daytime radiative sky cooling material by the roll-to-roll process makes large-scale deployment of the technology possible. This work reviews the fundamental principles of radiative sky cooling as well as the recent advances, from both materials and systems point of view. Potential applications in different scenarios are reviewed with special attention to technology viability and benefits. As the energy situation and environmental issues become more and more severe in the 21st century, we conclude radiative sky cooling can be explored for energy saving in buildings and vehicles, mitigating the urban heat island effect, resolving water and environmental issues, achieving more efficient power generation, and even fighting against the global warming problem.

Energy efficiency↗
DOE OSTI2020

Three-dimensional measurements of fundamental plasma parameters in pulsed ICP operation

Radio frequency inductively coupled plasma sources are widely used in low temperature industrial processing. Recent computer simulations and experiments indicate significant improvement in processing results with the use of pulsed plasmas. We report three dimensional spatial and temporal measurements of fundamental plasma parameters in a pulsed Argon plasma in an industrial etch tool modified for diagnostic access. The pulse repetition rate is 1 kHz with 50% duty cycle. The density does not decay to zero at the end of the afterglow period, and this affects the initial conditions for the beginning of the next powered phase. At 5 mTorr, the plasma starts in the E-mode for each pulse and grows into a “ring” shape density profile. Subsequently, the profile evolves to peak in the middle of the chamber as it reaches a steady state toward the end of the active-glow. At 25 mTorr, the plasma density profile always peaks at the center of the chamber throughout the entire pulse.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Fundamental gap of fluorographene by many-body GW and fixed-node diffusion Monte Carlo methods

Fluorographene (FG) is a promising graphene-derived material with a large bandgap. Currently existing predictions of its fundamental gap (Δ f ) and optical gap (Δ opt ) significantly vary when compared with experiment. We provide here an ultimate benchmark of Δ f for FG by many-body GW and fixed-node diffusion Monte Carlo (FNDMC) methods. Both approaches independently arrive at Δf ≈ 7.1 ± 0.1 eV. In addition, the Bethe–Salpeter equation enabled us to determine the first exciton binding energy, Eb = 1.92 eV. We also point to the possible misinterpretation problem of the results obtained for gaps of solids by FNDMC with single-reference trial wave functions of Bloch orbitals. We argue why instead of Δ opt , in the thermodynamic limit,

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Hall MHD waves: A fundamental departure from their MHD counterparts

It is demonstrated through a succinct derivation as to how the linear waves in Hall magnetohydrodynamics (HMHD) constitute a fundamental departure from the standard MHD waves. Apart from modifying the conventional MHD spectrum, the Hall current induces a distinct and new branch consisting of purely circularly polarized waves that may become the representative shear waves.

Astrophysics↗
DOE OSTI2014

Depolarisation of light scattered by disperse systems of low-dimensional potassium polytitanate nanoparticles in the fundamental absorption band

The results of experimental studies of depolarising properties of disperse systems on the basis of potassium polytitanate nanoplatelets and nanoribbons in the visible and near-UV spectral regions are presented. It is shown that in the fundamental absorption band of the nanoparticle material the increase in the depolarisation factor takes place for the radiation scattered perpendicularly to the direction of the probing beam. For nanoribbons a pronounced peak of depolarisation is observed, which is caused by the essential anisotropy of the particles shape and the peculiarities of the behaviour of the material dielectric function. The empirical data are compared with the theoretical results for 'nanodiscs' and 'nanoneedles' with the model dielectric function, corresponding to that obtained from optical constants of the titanium dioxide dielectric function. (laser biophotonics)

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

Spectrally selective fundamental core mode suppression in optical fibre containing absorbing rods

The feasibility of making a wavelength-selective fibre filter using fibre with absorbing rods in its silica cladding has been demonstrated theoretically for the first time. The technique described in this paper is of great practical interest for designing fibre lasers and amplifiers emitting at wavelengths where lasing is impeded by the presence of more energetically favourable radiative transitions in the active medium. In addition, the approach proposed here can be used for stimulated Raman scattering suppression. The unique feature of the fundamental core mode suppression mechanism examined is that there is a (bending) controlled spectral width of a region where excess losses are produced. (selection of papers presented at the international workshop on fibre lasers (20 – 24 September 2020, Novosibirsk))

36 MATERIALS SCIENCE↗
DOE OSTI2018

Hierarchical spidroin micellar nanoparticles as the fundamental precursors of spider silks

Significance The true physical form of the proteins within the silk glands of spiders that permits storage at very high concentrations rather than as precipitated material prior to being transformed into solid silk fibers remains one of the fundamental mysteries that has limited our ability to produce artificial silks of the quality of natural silks. Here we determine that spider silk proteins are stored as complex micellar nanoparticles composed of assembled subdomains. When extruded during the silk spinning process, these subdomains undergo fibrillization while remaining assembled in micelles. Knowledge of the nanostructured protein assemblies in the dope is critical to the basic understanding of the spinning process and to our ability to mimic the natural material properties in synthetic analogues.

36 MATERIALS SCIENCE↗
DOE OSTI2011

FUNDAMENTAL PERFORMANCE OF A DISPERSED FIXED DELAY INTERFEROMETER IN SEARCHING FOR PLANETS AROUND M DWARFS

We present a new method to calculate fundamental Doppler measurement limits with a dispersed fixed delay interferometer (DFDI) in the near-infrared (NIR) wavelength region for searching for exoplanets around M dwarfs in the coming decade. It is based on calculating the Q factor, a measure of flux-normalized Doppler sensitivity in the fringing spectra created with DFDI. We calculate the Q factor as a function of spectral resolution R, stellar-projected rotational velocity Vsin i, stellar effective temperature T{sub eff}, and optical path difference (OPD) of the interferometer. We also compare the DFDI Q factor to that for the popular cross-dispersed echelle spectrograph method (the direct echelle (DE) method). We find that (1) Q{sub DFDI} is a factor of 1.5-3 higher than Q{sub DE} at R ranging from 5000 to 20,000; (2) Q{sub DFDI} and Q{sub DE} converge at a very high R (R {>=} 100,000); (3) Q{sub DFDI} increases as R increases and Vsin i deceases; (4) for a given R, Q{sub DFDI} increases as T{sub eff} drops from 3100 K to 2400 K (M4V to M9V). We also investigate how Q{sub DFDI} is affected by OPD and find that a 5 mm deviation from the optimal OPD does not significantly affect Q{sub DFDI} (10% or less) for a wide range of R. Given that the NIR Doppler measurement is likely to be detector-limited for a while, we introduce new merit functions, which is directly related to photon-limited radial velocity (RV) uncertainty, to evaluate Doppler performance with the DFDI and DE methods. We find that DFDI has strength in wavelength coverage and multi-object capability over the DE for a limited detector resource. We simulate the performance of the InfraRed Exoplanet Tracker (IRET) based on the DFDI design, being considered for the next generation IR Doppler measurements. The predicted photon-limited RV uncertainty suggests that IRET is capable of detecting Earth-like exoplanets in habitable zone around nearby bright M dwarfs if they exist. A new method is developed to quantitatively estimate the influence of telluric lines on RV uncertainty. Our study shows that photon-limited RV uncertainty can be reached if 99% of the strength of telluric lines can be removed from the measured stellar spectra. At low to moderate levels of telluric line strength removal (50%-90%), the optimal RV uncertainty is typically a factor of two to three times larger than photon-limited RV uncertainty.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2011

LOOKING FOR A CONNECTION BETWEEN THE Am PHENOMENON AND HYBRID {delta} Sct -{gamma} Dor PULSATION: DETERMINATION OF THE FUNDAMENTAL PARAMETERS AND ABUNDANCES OF HD 114839 AND BD +18 4914

{delta} Sct-{gamma} Dor hybrids pulsate simultaneously in p- and g-modes, which carry information on the structure of the envelope as well as to the core. Hence, they are key objects for investigating A and F type stars with asteroseismic techniques. An important requirement for seismic modeling is small errors in temperature, gravity, and chemical composition. Furthermore, we want to investigate the existence of an abundance indicator typical for hybrids, something that is well established for the roAp stars. Previous to the present investigation, the abundance pattern of only one hybrid and another hybrid candidate has been published. We obtained high-resolution spectra of HD 114839 and BD +18 4914 using the SOPHIE spectrograph of the Observatoire de Haute-Provence and the HARPS spectrograph at ESO La Silla. For each star we determined fundamental parameters and photospheric abundances of 16 chemical elements by comparing synthetic spectra with the observations. We compare our results to that of seven {delta} Sct and nine {gamma} Dor stars. For the evolved BD +18 4914 we found an abundance pattern typical for an Am star, but could not confirm this peculiarity for the less evolved star HD 114839, which is classified in the literature as uncertain Am star. Our result supports the concept of evolved Am stars being unstable. With our investigation we nearly doubled the number of spectroscopically analyzed {delta} Sct-{gamma} Dor hybrid stars, but did not yet succeed in identifying a spectroscopic signature for this group of pulsating stars. A statistically significant spectroscopic investigation of {delta} Sct- {gamma} Dor hybrid stars is still missing, but would be rewarding considering the asteroseismological potential of this group.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

IDENTIFICATION OF A FUNDAMENTAL TRANSITION IN A TURBULENTLY SUPPORTED INTERSTELLAR MEDIUM

The interstellar medium (ISM) in star-forming galaxies is a multiphase gas in which turbulent support is at least as important as thermal pressure. Sustaining this configuration requires continuous radiative cooling, such that the overall average cooling rate matches the decay rate of turbulent energy into the medium. Here we carry out a set of numerical simulations of a stratified, turbulently stirred, radiatively cooled medium, which uncover a fundamental transition at a critical one-dimensional turbulent velocity of Almost-Equal-To 35 km s{sup -1}. At turbulent velocities below Almost-Equal-To 35 km s{sup -1}, corresponding to temperatures below 10{sup 5.5} K, the medium is stable, as the time for gas to cool is roughly constant as a function of temperature. On the other hand, at turbulent velocities above the critical value, the gas is shocked into an unstable regime in which the cooling time increases strongly with temperature, meaning that a substantial fraction of the ISM is unable to cool on a turbulent dissipation timescale. This naturally leads to runaway heating and ejection of gas from any stratified medium with a 1D turbulent velocity above Almost-Equal-To 35 km s{sup -1}, a result that has implications for galaxy evolution at all redshifts.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

A QUANTUM BAND MODEL OF THE {nu}{sub 3} FUNDAMENTAL OF METHANOL (CH{sub 3}OH) AND ITS APPLICATION TO FLUORESCENCE SPECTRA OF COMETS

Methanol (CH{sub 3}OH) radiates efficiently at infrared wavelengths, dominating the C-H stretching region in comets, yet inadequate quantum-mechanical models have imposed limits on the practical use of its emission spectra. Accordingly, we constructed a new line-by-line model for the {nu}{sub 3} fundamental band of methanol at 2844 cm{sup -1} (3.52 {mu}m) and applied it to interpret cometary fluorescence spectra. The new model permits accurate synthesis of line-by-line spectra for a wide range of rotational temperatures, ranging from 10 K to more than 400 K. We validated the model by comparing simulations of CH{sub 3}OH fluorescent emission with measured spectra of three comets (C/2001 A2 LINEAR, C/2004 Q2 Machholz and 8P/Tuttle) acquired with high-resolution infrared spectrometers at high-altitude sites. The new model accurately describes the complex emission spectrum of the {nu}{sub 3} band, providing distinct rotational temperatures and production rates at greatly improved confidence levels compared with results derived from earlier fluorescence models. The new model reconciles production rates measured at infrared and radio wavelengths in C/2001 A2 (LINEAR). Methanol can now be quantified with unprecedented precision and accuracy in astrophysical sources through high-dispersion spectroscopy at infrared wavelengths.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

TESTING DISTANCE ESTIMATORS WITH THE FUNDAMENTAL MANIFOLD

We demonstrate how the Fundamental Manifold (FM) can be used to cross-calibrate distance estimators even when those 'standard candles' are not found in the same galaxy. Such an approach greatly increases the number of distance measurements that can be utilized to check for systematic distance errors and the types of estimators that can be compared. Here we compare distances obtained using Type Ia supernova (SN Ia), Cepheids, surface brightness fluctuations, the luminosity of the tip of the red giant branch, circumnuclear masers, eclipsing binaries, RR Lyrae stars, and the planetary nebulae luminosity functions. We find no significant discrepancies (differences are <2{sigma}) between distance methods, although differences at the {approx}10% level cannot yet be ruled out. The potential exists for significant refinement because the data used here are heterogeneous B-band magnitudes that will soon be supplanted by homogeneous, near-infrared magnitudes. We illustrate the use of FM distances to (1) revisit the question of the metallicity sensitivity of various estimators, confirming the dependence of SN Ia distances on host galaxy metallicity, and (2) provide an alternative calibration of H{sub 0} that replaces the classical ladder approach in the use of extragalactic distance estimators with one that utilizes data over a wide range of distances simultaneously.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

FOUR FUNDAMENTAL FOREGROUND POWER SPECTRUM SHAPES FOR 21 cm COSMOLOGY OBSERVATIONS

Contamination from instrumental effects interacting with bright astrophysical sources is the primary impediment to measuring Epoch of Reionization (EoR) and Baryon Acoustic Oscillations (BAO) 21 cm power spectra-an effect called mode mixing. In this paper, we identify four fundamental power spectrum shapes produced by mode mixing that will affect all upcoming observations. We are able, for the first time, to explain the wedge-like structure seen in advanced simulations and to forecast the shape of an 'EoR window' that is mostly free of contamination. Understanding the origins of these contaminations also enables us to identify calibration and foreground subtraction errors below the imaging limit, providing a powerful new tool for precision observations.

79 ASTRONOMY AND ASTROPHYSICS↗