Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “theoretical limits”

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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
NASA NTRS1984

Beta decay and the origin of biologial chirality - New experimental results

The hypothetical connection developed by Vester and Ulbricht (1959), between the handedness of beta particles in radioactive decay and the (L) sign of biologial chirality is investigated in a radiolysis experiment. The experiment measured the predicted asymmetry in the formation triplet or 'ortho-' positronium (oPs) in amino acid enantiomers by low energy positrons under conditions of helicity reversal. The positrons were focused on amino acid powder samples. By measuring the time between positron arrival and emission of gamma rays, long-lived oPs were separated from other species. It is found that the asymmetry in leucine (0.8 x 10 to the -4th) is consistent with the theoretical prediction of 10 to the -6th. Neither the experimental limits nor the theoretical estimates are found to rule out a mechanism like that described by Vester and Ulbricht as the cause of the sign of the observed chiral polarization.

Van House, J.↗
DOE OSTI2024

Hidden transport phenomena in an ultraclean correlated metal

Advancements in materials synthesis have been key to unveil the quantum nature of electronic properties in solids by providing experimental reference points for a correct theoretical description. Here, we report hidden transport phenomena emerging in the ultraclean limit of the archetypical correlated electron system SrVO 3 . The low temperature, low magnetic field transport was found to be dominated by anisotropic scattering, whereas, at high temperature, we find a yet undiscovered phase that exhibits clear deviations from the expected Landau Fermi liquid, which is reminiscent of strange-metal physics in materials on the verge of a Mott transition. Further, the high sample purity enabled accessing the high magnetic field transport regime at low temperature, which revealed an anomalously high Hall coefficient. Taken with the strong anisotropic scattering, this presents a more complex picture of SrVO 3 that deviates from a simple Landau Fermi liquid. These hidden transport anomalies observed in the ultraclean limit prompt a theoretical reexamination of this canonical correlated electron system beyond the Landau Fermi liquid paradigm, and more generally serves as an experimental basis to refine theoretical methods to capture such nontrivial experimental consequences emerging in correlated electron systems.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Combined experimental-theoretical study of electron mobility-limiting mechanisms in SrSnO 3

The discovery and development of ultra-wide bandgap (UWBG) semiconductors is crucial to accelerate the adoption of renewable power sources. This necessitates an UWBG semiconductor that exhibits robust doping with high carrier mobility over a wide range of carrier concentrations. Here we demonstrate that epitaxial thin films of the perovskite oxide Nd x Sr 1 – x SnO 3 (SSO) do exactly this. Nd is used as a donor to successfully modulate the carrier concentration over nearly two orders of magnitude, from 3.7 × 10 18 cm –3 to 2.0 × 10 20 cm –3 . Despite being grown on lattice-mismatched substrates and thus having relatively high structural disorder, SSO films exhibited the highest room-temperature mobility, ~70 cm 2 V –1 s –1 , among all known UWBG semiconductors in the range of carrier concentrations studied. The phonon-limited mobility is calculated from first principles and supplemented with a model to treat ionized impurity and Kondo scattering. This produces excellent agreement with experiment over a wide range of temperatures and carrier concentrations, and predicts the room-temperature phonon-limited mobility to be 76–99 cm 2 V –1 s –1 depending on carrier concentration. This work establishes a perovskite oxide as an emerging UWBG semiconductor candidate with potential for applications in power electronics

36 MATERIALS SCIENCE↗
NASA NTRS1979

Experimental and theoretical examples of the value and limitations of transition state theory

Value and limitations of transition-state theory (TST) are reviewed. TST analyses of the temperature dependence of the 'direct' reactions CH3 + CH3CHO yields CH4 + CH3CO(1) and O + CH4 yields OH + CH3(2) are presented in detail, and other examples of TST usefulness are recalled. Limitations are discussed for bimolecular processes in terms of 'complex' vs. 'direct' mechanisms. The reaction OH + CO yields CO2 + H is discussed in this context. Limitations for unimolecular processes seem to arise only for simple bond fission processes, and recent advances are noted.

Golden, D. M.↗
NASA NTRS1984

Review of solar fuel-producing quantum conversion processes

The status and potential of fuel-producing solar photochemical processes are discussed. Research focused on splitting water to produce dihydrogen and is at a relatively early stage of development. Current emphasis is primarily directed toward understanding the basic chemistry underlying such quantum conversion processes. Theoretical analyses by various investigators predict a limiting thermodynamic efficiency of 31% for devices with a single photosystem operating with unfocused sunlight at 300 K. When non-idealities are included, it appears unlikely that actual devices will have efficiencies greater than 12 to 15%. Observed efficiencies are well below theoretical limits. Cyclic homogeneous photochemical processes for splitting water have efficiencies considerably less than 1%. Efficiency can be significantly increased by addition of a sacrificial reagent; however, such systems are no longer cyclic and it is doubtful that they would be economical on a commercial scale. The observed efficiencies for photoelectrochemical processes are also low but such systems appear more promising than homogeneous photochemical systems. Operating and systems options, including operation at elevated temperature and hybrid and coupled quantum-thermal conversion processes, are also considered.

Peterson, D. B.↗
DOE OSTI2020

Diffusion and migration in polymer electrolytes

Mixtures of neutral polymers and lithium salts have the potential to serve as electrolytes in next-generation rechargeable Li-ion batteries. The purpose of this review is to expose the delicate interplay between polymer-salt interactions at the segmental level and macroscopic ion transport at the battery level. Since complete characterization of this interplay has only been completed in one system: mixtures of poly(ethylene oxide) and lithium bis(trifluoromethanesulfonyl)imide (PEO/LiTFSI), we focus on data obtained from this system. We begin with a discussion of the activity coefficient, followed by a discussion of six different diffusion coefficients: the Rouse motion of polymer segments is quantified by D seg , the self-diffusion of cations and anions is quantified by D self,+ and D self,- , and the build-up of concentration gradients in electrolytes under an applied potential is quantified by Stefan-Maxwell diffusion coefficients, D 0+ , D 0- , and D +- . The Stefan-Maxwell diffusion coefficients can be used to predict the velocities of the ions at very early times after an electric field is applied across the electrolyte. The surprising result is that D 0- is negative in certain concentration windows. A consequence of this finding is that at these concentrations, both cations and anions are predicted to migrate toward the positive electrode at early times. We describe the controversies that surround this result. Knowledge of the Stefan-Maxwell diffusion coefficients enable prediction of the limiting current. We argue that the limiting current is the most important characteristic of an electrolyte. Excellent agreement between theoretical and experimental limiting current is seen in PEO/LiTFSI mixtures. What sequence of monomers that, when polymerized, will lead to the highest limiting current remains an important unanswered question. It is our hope that the approach presented in this review will guide the development of such polymers.

25 ENERGY STORAGE↗
NASA NTRS1979

Estimation of attainable leading-edge thrust for wings at subsonic and supersonic speeds

The factors which place limits on the theoretical leading edge thrust are identified. An empirical method for the estimation of attainable thrust is presented. The method is based on the use of simple sweep theory to permit a two dimensional analysis, the use of theoretical airfoil programs to define thrust dependence on local geometric characteristics, and the examination of experimental two dimensional airfoil data to define limitations imposed by local Mach numbers and Reynolds numbers. Comparisons of theoretical and experimental aerodynamic characteristics for a series of wing body configurations are examined.

Carlson, H. W.↗
DOE OSTI2021

Nearly Quantum-Limited Josephson-Junction Frequency-Comb Synthesizer

While coherently driven Kerr microcavities have rapidly matured as a platform for frequency-comb formation, such microresonators generally possess weak Kerr coefficients; consequently, triggering comb generation requires millions of photons to be circulating inside the cavity. This suppresses the role of quantum fluctuations in the dynamics of the comb. In this paper, we realize a minimal version of coherently driven Kerr-mediated microwave-frequency combs in the circuit quantum electrodynamics (cQED) architecture, where the fluctuations of the quantum vacuum are the primary limitation on comb coherence. We achieve a comb phase coherence of up to 35 μs, approaching the theoretical device quantum limit of 55 μs and vastly longer than the inherent lifetimes of the modes, of 13 ns. The ability within cQED to engineer stronger nonlinearities than optical microresonators, together with operation at cryogenic temperatures, and the excellent agreement of comb dynamics with quantum theory indicates a promising platform for the study of complex dynamics of quantum nonlinear systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Improved Transient Stability Analysis of Multi-loop Droop-Controlled Grid Forming Inverters with Current Reference Limiter

Grid-forming control is regarded as a promising technology for achieving high levels of renewable energy integration in future power grids. To fulfill this role, grid-forming devices is expected to possess fault ride through capability. This paper focuses on the transient stability of a droop control-based grid-forming inverter that utilizes current reference saturation as a current limiting strategy. The objective of this work is to investigate the fault recovery process of the grid-forming inverter and analyze the criterion for transitioning the inverter out of the current limiting mode. The theoretical analysis in this study is validated through time-domain simulations, which compare the results obtained using the circuit current limiting method and the d-axis priority-based current limiting method. Various operational conditions are considered to comprehensively evaluate the performance of the grid-forming inverter during a three-phase short circuit scenario. The simulation results confirm the effectiveness of the proposed theoretical approach.

Lyu, Xue↗
NASA NTRS1986

Regional-scale estimates of surface moisture availability and thermal inertia using remote thermal measurements

A review is presented of numerical models which were developed to interpret thermal IR data and to identify the governing parameters and surface energy fluxes recorded in the images. Analytic, predictive, diagnostic and empirical models are described. The limitations of each type of modeling approach are explored in terms of the error sources and inherent constraints due to theoretical or measurement limitations. Sample results of regional-scale soil moisture or evaporation patterns derived from the Heat Capacity Mapping Mission and GOES satellite data through application of the predictive model devised by Carlson (1981) are discussed. The analysis indicates that pattern recognition will probably be highest when data are collected over flat, arid, sparsely vegetated terrain. The soil moisture data then obtained may be accurate to within 10-20 percent.

Carlson, T. N.↗
DOE OSTI2024

The Radical Atom: Mechanosynthetic 3D Printing of an Atomically Precise SPM Tip

This research effort sought to overcome current limitations in scanning probe-based atomic manipulation to enable atomically precise manufacturing (APM). Previous theoretical and experimental works on atom by atom and molecule by molecule fabrication of precise structures are limited to essentially to two-dimensions. APM will enable a paradigm shift in 21st century manufacturing practices in which every single atom in a electronic chip, device or machine can be placed in an exact and predefined position in three-dimensions. By providing a general method for generating reproducible SPM tip structure, this project will drive forward the entire field of atomically precise scanning probe microscopy, opening the door to positional control of nearly arbitrary covalent chemistry. Such control could, for example, be used in applications such as novel 2.5 or 3D microchip fabrication. The creation of a unique manufacturing method through APM has the potential to impact technologies at the theoretical limits of performance, weight, and utility including: solid-state quantum and spintronic computing systems, high efficiency optical antenna, solar power systems, defect engineered materials and extremely efficient catalysts. Although this experiment focused on pick-and-place non-scalable APM, the better understanding of the chemistry is crucial to the eventual goal of scalable APM. To place individual atoms into a specified location is a seminal aspiration of researchers and engineers in the many fields and may have early premium applications in medical devices and microelectronics.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS2013

On the Performance Potential of Bioelectrochemical Life Support Systems

An area of growing multi-disciplinary research and revolutionary development for bio-processing on Earth is bioelectrochemical systems. These systems exploit the capability of many microorganisms to act as biocatalysts, enhancing the performance of electrochemical processes which convert low-value materials into valuable products. Many varieties of such processes hold potential value for space exploration as means to recycle metabolic waste and other undesirable materials or insitu resources into oxygen, water, and other valuable substances. However, the wide range of possible reactants, products, configurations, and operating parameters, along with the early stage of development and application on the ground necessitate thorough consideration of which, if any, possibilities could outperform existing technologies and should thus receive investment for space applications. In turn, the decision depends on the theoretical and practical limits of performance and the value of the reactant-product conversions within spaceflight scenarios, and should, to the greatest extent possible, be examined from the perspective of a fully designed, integrated system, rather than as an isolated unit lacking critical components like valves and pumps. Herein, we select a series of possible reactant-product conversions, develop concept process flow diagrams for each, and estimate theoretical and (where sufficient literature data allows) practical performance limitations of each. The objective was to estimate the costs, benefits, and risks of each concept in order to aid strategic decisions in the early-phase technology development effort.

Mansell, J. Matthew↗
DOE OSTI2020

Quantum Mechanical Evaluation of CZTS Properties for Photovoltaic Applications

As a quaternary semiconductor, CZTS (Cu 2 ZnSnS 4 ) shows promise as a thin-film solar cell material. The constituent elements in CZTS are abundant and non-toxic, and CZTS has an ideal band gap (~1.5 eV) for solar cell applications, which produces a large absorption coefficient. Unfortunately, the low efficiencies and difficulties in synthesizing the desired crystallographic phase (kesterite) and the associated formation of antisite defects limit its deployment. Using theoretical and computational tools, we investigated these current limitations, explored strategies to resolve these issues, and developed design guidelines to improve the efficiency of CZTS-based sunlight absorbers. We first sought to understand the challenges associated with synthesizing the kesterite phase and proposed ways to favor kesterite growth, thus adding to the understanding of CZTS photovoltaics. We also analyzed the major limitations at the atomic scale lowering the efficiency of CZTS: the low open-circuit voltage (V oc ) and the short carrier lifetime, thus addressing the technical effectiveness of CZTS photovoltaics. We believe the latter is due to Shockley-Read-Hall (SRH) recombination centers associated with point defects. We also studied the electronic structure of interfaces and defects introducing such recombination centers, and explored doping strategies to reduce SRH recombination. Ultimately, these efforts will benefit the public by contributing to the development of cheap and efficient solar energy conversion technologies made from abundant, non-toxic materials.

14 SOLAR ENERGY↗
DOE OSTI2023

Comparing Experimentally-Measured Sand’s Times with Concentrated Solution Theory Predictions in a Polymer Electrolyte

We compare the electrochemically measured Sand’s time, the time required for the cell potential to diverge when the applied current density exceeds the limiting current, with theoretical predictions for a 0.47 M poly(ethylene oxide) (5 kg mol −1 )/LiTFSI electrolyte. The theoretical predictions are made using concentrated solution theory which accounts for both concentration polarization and polymer motion, using independently measured parameters that depend on concentration, c : conductivity ( κ ), salt diffusion coefficient ( D ), cationic transference number with respect to the solvent velocity ( t + 0 ), thermodynamic factor 1 + dln f ± dln c , and partial molar volume of the salt ( V ̅ ); f ± is the mean molar activity coefficient of the salt. We find quantitative agreement between experimental data and theoretical predictions. We derive a generalized analytical expression for Sand’s time for electrolytes based on dilute solution theory. This expression correctly predicts the divergence of the Sand’s time at the limiting current, in agreement with experimental data and concentrated solution theory predictions. When the applied current is large compared to the limiting current, the analytical expression approaches the standard expression for Sand’s time used in the literature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Weak lensing in DES Y3: redshift distributions, shape catalogue, and mass mapping

The size of galaxy surveys have rapidly escalated with time, growing from thousands of galaxies of the first pioneering surveys to current and future surveys (DES, KiDS, HSC, LSST, Euclid, WFIRST), which map (or plan to map) a few hundreds millions of galaxies. These ambitious programs have the potential to answer many open questions in Cosmology (or, depending on their results, to open new exciting scenarios, involving new physics beyond the standard cosmological model and the standard model of particle physics). In particular, this thesis focuses on the first three years of data from the Dark Energy Survey (DES Y3), which comprises 100 million galaxies observed in 5 different optical bands over 5000 square degrees of the southern hemisphere. DES and the data set used in this thesis are discussed in detail in Chapter 3, which together with Chapter 1 and 2 constitutes Part I of this thesis. The scientifically positive outcome of DES and other photometric galaxy surveys goes h and in h and with a supreme understanding of the data, of the observational systematics affecting the measurements, and of the limits of the theoretical modelling of the observables. One of the main challenge of galaxy photometric surveys like DES is to correctly estimate the distance to the galaxies. Photometric surveys observe the galaxies in a limited number of broad optical bands, and the estimate of their \textit{redshifts} is somewhat uncertain, which constitutes one of the main limiting factor of their cosmological analyses. Part II and its Chapter 4 are devoted to a new auxiliary technique recently developed that allows to infer (or calibrate) redshift distributions exploiting cross-correlation with small reference samples with secure redshifts. The so called ``clustering-redshift'' method is discussed in depth, as well as its role in the overall DES Y3 redshift calibration strategy. Part III and Chapter 5 are devoted to another key aspect of photometric surveys, that enables the stu dy of weak gravitational lensing: the shape catalogue. The official DES Y3 shape catalogue is presented, together with all the systematic tests performed to validate it such that it can be considered science-ready. Last, part IV focuses on how to use weak gravitational lensing and the DES Y3 shape catalogue to create weak lensing mass maps, i.e., maps of the mass distribution of the Universe. Chapter 6 discusses different map making techniques, whereas Chapter 7 presents a simulated cosmological analysis using the high order moments of the mass maps.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1995

Convergence properties of finite-difference hydrodynamics schemes in the presence of shocks

We investigate the asymptotic convergence of finite-difference schemes for the Euler equations when the limiting solution contains shocks. The Lax-Wendroff theorem guarantees that certain conservative schemes converge to correct, physically valid solutions. We focus on two one-dimensional operator-split schemes with explicit artificial-viscosity terms. One, an internal-energy scheme, does not satisfy the assumptions of Lax-Wendroff; the other, a conservative total-energy scheme, does. With viscous lengths chosen proportional to the grid size, we find that both schemes converge to their zero-grid-size limits at the theoretically expected rate, but only the conversative scheme converges toward correct solutions of the inviscid fluid equations. We show that the difference in their behaviors results directly from the presence of shocks in the limiting solution. Empirically, we find that when the viscous lenghts tend toward zero more slowly than the grid size, however the nonconservative scheme also converges toward correct solutions. We characterize the asymptotic behavior of the total-energy scheme in a particular problem in which a shock forms. As the grid is refined, a Cauchy error approaches the expected rate of change slowly. We show that the changes in the artificial viscosity alter the diffusion of small-amplitude waves. The differences associated with such waves make the dominant contribution to the Cauchy error. We formulate an analytic model to relate the rate of approach to the effect of varying diffusion in waves and find quantitative agreement with our numerical results.

Kimoto, Paul A.↗