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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Simple and versatile UV-ozone oxide for silicon solar cell applications

Semiconductor surface clean is sometimes perceived as costly but long recognized as pivotal in determining the final semiconductor device performance and yield. In this contribution, we investigated the effectiveness of crystalline silicon surface cleaning by a simple UV-ozone process in comparison to the industry standard RCA clean for silicon photovoltaic applications. We present a unique method of processing the silicon surface effectively by UV-ozone cleaning. Despite being simple, UV-ozone cleaning results in a superior surface passivation quality that is comparable to high-quality RCA clean. When used as a stack dielectric—UV-ozone oxide overlaid by aluminum oxide—the thickness of UV-ozone oxide plays an important role in determining the passivation quality. Of all treatment times, 15 min of UV-ozone treatment results in an outstanding passivation quality, achieving the effective carrier lifetime of 3 ms and saturation current density of 5 fA/cm 2 . In addition, we present a simple and effective technique to extract values of electron/hole capture cross-section for the purpose of analyzing the interface passivation quality from already measured surface recombination parameters of saturation current density, interfacial trap density and total fixed charge, instead of measuring on the separately prepared metal-insulated-semiconductor (MIS) samples by the techniques: frequency-dependent parallel conductance or deep-level transient spectroscopy.

14 SOLAR ENERGY↗
DOE OSTI2016

Simple extrapolation method to predict the electronic structure of conjugated polymers from calculations on oligomers

In this study, we introduce two simple tight-binding models, which we call fragment frontier orbital extrapolations (FFOE), to extrapolate important electronic properties to the polymer limit using electronic structure calculations on only a few small oligomers. In particular, we demonstrate by comparison to explicit density functional theory calculations that for long oligomers the energies of the highest occupied molecular orbital (HOMO), the lowest unoccupied molecular orbital (LUMO), and of the first electronic excited state are accurately described as a function of number of repeat units by a simple effective Hamiltonian parameterized from electronic structure calculations on monomers, dimers and, optionally, tetramers. For the alternating copolymer materials that currently comprise some of the most efficient polymer organic photovoltaic devices one can use these simple but rigorous models to extrapolate computed properties to the polymer limit based on calculations on a small number of low-molecular-weight oligomers.

14 SOLAR ENERGY↗
DOE OSTI2021

A combinatory ferroelectric compound bridging simple ABO 3 and A-site-ordered quadruple perovskite

The simple ABO 3 and A-site-ordered AA' 3 B 4 O 12 perovskites represent two types of classical perovskite functional materials. There are well-known simple perovskites with ferroelectric properties, while there is still no report of ferroelectricity due to symmetry breaking transition in A-site-ordered quadruple perovskites. Here we report the high pressure synthesis of an A-site-ordered perovskite PbHg 3 Ti 4 O 12 , the only known quadruple perovskite that transforms from high-temperature centrosymmetric paraelectric phase to low-temperature non-centrosymmetric ferroelectric phase. The coordination chemistry of Hg 2+ is changed from square planar as in typical A-site-ordered quadruple perovskite to a rare stereo type with 8 ligands in PbHg 3 Ti 4 O 12 . Thus PbHg 3 Ti 4 O 12 appears to be a combinatory link from simple ABO 3 perovskites to A-site-ordered AA' 3 Ti 4 O 12 perovskites, sharing both displacive ferroelectricity with former and structure coordination with latter. This is the only example so far showing ferroelectricity due to symmetry breaking phase transition in AA' 3 B 4 O 12 -type A-site-ordered perovskites, and opens a direction to search for ferroelectric materials.

36 MATERIALS SCIENCE↗
DOE OSTI2015

A simple structure of all circular-air-holes photonic crystal fiber for achieving high birefringence and low confinement loss

We propose a simple structure of photonic crystal fibers (PCFs) with high birefringence and low confinement loss based on one rectangular centric ring of smaller circular air holes (CAHs) in the fiber core, and three rings of larger CAHs in the fiber cladding. This simple geometry (using all CAHs with two different air hole sizes) is capable of achieving a flexible control of the birefringence, B = 5.501 × 10{sup −3}, and ultra-low confinement loss, 7.30 × 10{sup −5 }dB/km, at an excitation wavelength of λ = 1550 nm. The birefringence value is ∼5.0 times greater than that obtained for conventional CAH PCF. This simple structure has the added advantage from the view point of easy fabrication, robustness, and cost. A full-vector finite element method combined with anisotropic perfectly matched layers was used to analyze the various fiber structures. We have analyzed four cases of CAH PCFs, focusing on the core asymmetry design as opposed to the conventional approach of CAHs or elliptical air holes on the cladding and core. The robustness against manufacturing inaccuracies of the proposed structure has also been further investigated in this work.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Maximal temperature in a simple thermodynamical system

Temperature in a simple thermodynamical system is not limited from above. It is also widely believed that it does not make sense talking about temperatures higher than the Planck temperature in the absence of the full theory of quantum gravity. Here, we demonstrate that there exist a maximal achievable temperature in a system where particles obey the laws of quantum mechanics and classical gravity before we reach the realm of quantum gravity. Namely, if two particles with a given center of mass energy come at the distance shorter than the Schwarzschild diameter apart, according to classical gravity they will form a black hole. It is possible to calculate that a simple thermodynamical system will be dominated by black holes at a critical temperature which is about three times lower than the Planck temperature. That represents the maximal achievable temperature in a simple thermodynamical system.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Formation of a simple cubic antiferromagnet through charge ordering in a double Dirac material

Following the topological classification of electronic phases, interest has grown in materials with unique electronic or magnetic properties driven by topology and interactions. Here, in this study, we report that the topologically nontrivial mixed valent intermetalllic EuPd 3 S 4 undergoes long-range charge ordering at 𝑇 𝐶⁢𝑂 = 340 K wherein 𝐽 = 7/2 Eu 2+ and Van Vleck 𝐽 = 0 Eu 3+ ions on a body-centered-cubic lattice separate into two interpenetrating simple cubic sublattices. The reduced symmetry transmutes 8-fold double Dirac states into 4-fold Dirac states and leads to a simple cubic Heisenberg antiferromagnet with G-type antiferromagnetic order for 𝑇 <⁢ 𝑇 𝑁 = 2.85⁢(6) K. While time reversal symmetry is broken, its combination with nearest neighbor lattice translation can form a nonsymmorphic symmetry preserving the 4-fold Dirac point. The application of a magnetic field yields a spin flop transition at the lowest temperatures but, as a consequence of the extreme isotropy of Eu, that phase transition turns into a cross-over at higher temperatures. Our work demonstrates how charge order modifies topology in EuPd 3 S 4 and exposes an archetypal simple cubic Heisenberg antiferromagnet.

Berry, Tanya [Johns Hopkins Univ., Baltimore, MD (↗
DOE OSTI2022

Classical and quantum evolution in a simple coherent neutrino problem

The extraordinary neutrino flux produced in extreme astrophysical environments like the early Universe, core-collapse supernovae and neutron star mergers may produce coherent quantum neutrino oscillations on macroscopic length scales. The Hamiltonian describing this evolution can be mapped into quantum spin models with all-to-all couplings arising from neutrino-neutrino forward scattering. To date many studies of these oscillations have been performed in a mean-field limit where the neutrinos time evolve in a product state. In this paper we examine a simple two-beam model evolving from an initial product state and compare the mean-field and many-body evolution. The symmetries in this model allow us to solve the real-time evolution for the quantum many-body system for hundreds or thousands of spins, far beyond what would be possible in a more general case with an exponential number (2 N ) of quantum states. We compare mean-field and many-body solutions for different initial product states and ratios of one- and two-body couplings, and find that in all cases in the limit of infinite spins the mean-field (product state) and many-body solutions coincide for simple observables. This agreement can be understood as a consequence of the fact that the typical initial condition represents a very local but dense distribution about a mean energy in the spectrum of the Hamiltonian. We explore quantum information measures like entanglement entropy and purity of the many-body solutions, finding intriguing relationships between the quantum information measures and the dynamical behavior of simple physical observables.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Reproducing heavy-ion fusion cross sections at extreme sub-barrier energies with a simple formula: Analysis of fusion hindrance with a Gaussian barrier distribution

Heavy-ion fusion hindrance occurs at extreme sub-barrier energies. This behavior is well reproduced with a simple cross section formula, which was developed by Siwek-Wilczynska et al., based on a single-Gaussian distribution of fusion barrier heights, before the discovery of the hindrance phenomenon. This expression has not yet been widely used and referenced in the literature. An analysis by using this simple formula is presented for 29 systems, from 16 O + 18 O to 64 Ni + 124 Sn , all being measured down to less than 10μb. The agreement with the data is even better than the ones from sophisticated Coupled-channels calculations. This simple expression also applies to fusion reactions in lighter systems. Here, the three parameters contained in this formula vary in a relatively smooth fashion over the whole mass range, and can be used to extrapolate cross sections or to obtain an estimate of the excitation function for systems which have not been measured. Extensions and restrictions of this method are also discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2017

pyhector: A Python interface for the simple climate model Hector

Here, pyhector is a Python interface for the simple climate model Hector (Hartin et al. 2015) developed in C++. Simple climate models like Hector can, for instance, be used in the analysis of scenarios within integrated assessment models like GCAM1, in the emulation of complex climate models, and in uncertainty analyses. Hector is an open-source, object oriented, simple global climate carbon cycle model. Its carbon cycle consists of a one pool atmosphere, three terrestrial pools which can be broken down into finer biomes or regions, and four carbon pools in the ocean component. The terrestrial carbon cycle includes primary production and respiration fluxes. The ocean carbon cycle circulates carbon via a simplified thermohaline circulation, calculating air-sea fluxes as well as the marine carbonate system. The model input is time series of greenhouse gas emissions; as example scenarios for these the Pyhector package contains the Representative Concentration Pathways (RCPs)2.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Simple Acceptance Decisions and Acceptance Risk

Acceptance risk may be estimated using cumulative probability distribution functions applied to populations of measurands and test measurement values. “Simple acceptance” is a decision rule that sets the acceptance range of a test result equal to the tolerance range specification. While acceptance risk is comprised of both consumer risk and producer risk, this paper compares the effects of simple acceptance decision rules and guardbanding decision rules on consumer risk. Consumer risk is also known as the probability of false acceptance. The terms describe the risk of accepting test results as passing when the actual values exceed specification limits. False acceptance is only possible when the true value of a measurand is out of tolerance and the test result indicates that the measurand is within tolerance. Metrologists generally have some information about the test uncertainty regarding a specific acceptance test result. Along with a general lack of knowledge regarding the measurand population parameters, the complicated interplay between risk, dispersion, and central values generally prevents calibration laboratories from fully characterizing acceptance probabilities. Organizations that model the measurand populations can reduce consumer risk by avoiding certification of items whose measurand populations are not well centered. The models in this paper present a recurring trend: guardbanding reduces nonnegligible risks of false acceptance when compared to simple acceptance. However, guardbanding is not the most effective means of acceptance risk mitigation. Systematic characterization of measurand populations can provide the information a calibration laboratory needs to reliably control acceptance risk.

42 ENGINEERING↗
DOE OSTI2024

Metallic Fuel Performance Analysis for the European Sodium Fast Reactor (ESFR-SIMPLE): Analysis of metallic fuel performance using SAS4A/SASSYS-1 $-$ MFUEL

The European Sodium Fast Reactor - Safety by Innovative Monitoring, Power Level flexibility and Experimental research (ESFR-SIMPLE) project was initiated in 2022 and includes assessment of a metallic-fueled version of the ESFR concept. Argonne National Laboratory (ANL) has been partnering with the ESFR-SIMPLE project to share its expertise on metallic fueled SFR designs and support some of its analysis. This report focuses on metallic fuel behavior analysis for ESFR-SIMPLE design conditions under base irradiation and transients (ULOF and UTOP).

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2015

A simple object-oriented and open-source model for scientific and policy analyses of the global climate system – Hector v1.0

Simple climate models play an integral role in the policy and scientific communities. They are used for climate mitigation scenarios within integrated assessment models, complex climate model emulation, and uncertainty analyses. Here we describe Hector v1.0, an open source, object-oriented, simple global climate carbon-cycle model. This model runs essentially instantaneously while still representing the most critical global-scale earth system processes. Hector has a three-part main carbon cycle: a one-pool atmosphere, land, and ocean. The model's terrestrial carbon cycle includes primary production and respiration fluxes, accommodating arbitrary geographic divisions into, e.g., ecological biomes or political units. Hector actively solves the inorganic carbon system in the surface ocean, directly calculating air–sea fluxes of carbon and ocean pH. Hector reproduces the global historical trends of atmospheric [CO 2 ], radiative forcing, and surface temperatures. The model simulates all four Representative Concentration Pathways (RCPs) with equivalent rates of change of key variables over time compared to current observations, MAGICC (a well-known simple climate model), and models from the 5th Coupled Model Intercomparison Project. Hector's flexibility, open-source nature, and modular design will facilitate a broad range of research in various areas.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1983

System identification of large flexible structures by using simple continuum models

Simple continuum models for the representation of large truss beams and truss platforms are constructed and employed in the solution of system identification problems permitting the significant reduction of the number of structural parameters. Two simple and easily computer-implemented algorithms are presented for the estimation of a simple model's equivalent structural parameters, and analytical and numerical solutions are given for the truss beam and truss platform cases in order to illustrate the basic concepts. It is found that model simplicity, in conjunction with the principle of least square erors, yields a feasible integration of structural and identification problems.

Juang, J. N.↗
NASA NTRS1985

Simple equation to approximate the bidirectional reflectance from vegetative canopies and bare soil surfaces

A simple equation has been developed for describing the bidirectional reflectance of some vegetative canopies and bare soil surfaces. The equation describes directional reflectance as a function of zenith and azimuth view angles and solar azimuth angle. The equation works for simulated and field measured red and IR reflectance under clear sky conditions. Hemispherical reflectance can be calculated as a function of the simple equation coefficients by integrating the equation over the hemisphere of view angles. A single equation for estimating soil bidirectional reflectance was obtained using the relationships between solar zenith angles and the simple equation coefficients for medium and rough soil distributions. The equation has many useful applications such as providing a lower level boundary condition in complex plant canopy models and providing an additional tool for studying bidirectional effects on pointable sensors.

Walthall, C. L.↗
NASA NTRS1985

Thermal-mechanical response to simple shear extension

The mechanism of extension in the continental crust is apparently much more complex than that acting in the oceanic lithosphere. Recently, Wernicke has proposed that a significant fraction of extension in the continental lithosphere may occur by a simple shear mechanism along discrete fault/shear zones which cut the crust, and perhaps extend into the uppermost mantle. Clearly much of the surface evidence for extension supports this concept, but the depth extent of simple shear extension in the continental crust is unclear. Using numerical simulations, the thermal and associated mechanical behavior of the continental lithosphere in response to lithosphere extension along a low-angle simple shear zone which cuts through the lithospheric plate was determined in order to evaluate the resolving ability of thermal (heat flow and metamorphic P-T-time paths) and elevation observations in constraining the mode of continental extension.

Furlong, K. P.↗
NASA NTRS1988

Simple explanations and reasoning: From philosophy of science to expert systems

A preliminary prototype of a simple explanation system was constructed. Although the system, based on the idea of storytelling, did not incorporate all of the principles of simple explanation, it did demonstrate the potential of the approach. The system incorporated a hypertext system, an inference engine, and facilities for constructing contrast type explanations. The continued development of such a system should prove to be valuable. By extending the resources of the expert system paradigm, the knowledge engineer is not forced to learn a new set of skills, and the domain knowledge already acquired by him is not lost. Further, both the beginning user and the more advanced user can be accommodated. For the beginning user, corrective explanations and ES explanations provide facilities for more clearly understanding the way in which the system is functioning. For the more advanced user, the instance and state explanations allow him to focus on the issues at hand. The simple model of explanation attempts to exploit and show how the why and how facilities of the expert system paradigm can be extended by attending to the pragmatics of explanation and adding texture to the ordinary pattern of reasoning in a rule based system.

Rochowiak, Daniel↗
NASA NTRS1991

User manual for two simple postscript output FORTRAN plotting routines

Graphics is one of the important tools in engineering analysis and design. However, plotting routines that generate output on high quality laser printers normally come in graphics packages, which tend to be expensive and system dependent. These factors become important for small computer systems or desktop computers, especially when only some form of a simple plotting routine is sufficient. With the Postscript language becoming popular, there are more and more Postscript laser printers now available. Simple, versatile, low cost plotting routines that can generate output on high quality laser printers are needed and standard FORTRAN language plotting routines using output in Postscript language seems logical. The purpose here is to explain two simple FORTRAN plotting routines that generate output in Postscript language.

Nguyen, T. X.↗
NASA NTRS1993

Double simple-harmonic-oscillator formulation of the thermal equilibrium of a fluid interacting with a coherent source of phonons

A formulation is given for a collection of phonons (sound) in a fluid at a non-zero temperature which uses the simple harmonic oscillator twice; one to give a stochastic thermal 'noise' process and the other which generates a coherent Glauber state of phonons. Simple thermodynamic observables are calculated and the acoustic two point function, 'contrast' is presented. The role of 'coherence' in an equilibrium system is clarified by these results and the simple harmonic oscillator is a key structure in both the formulation and the calculations.

Defacio, B.↗