Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Formal Methods”

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 1,603 records · Page 89
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

SU-G-TeP2-03: Comparison of Standard Dosimetry Protocol in Japan and AAPM TG-51 Addendum in Order to Establish Optimal Dosimetry for FFF Beam

Purpose: Japan Standard Dosimetry of Absorbed dose to water in external beam radiotherapy (JSDP12) is widely used to measure radiation dose in radiotherapy. However, JSDP12 does not take flattening-filter-free (FFF) beam into consideration. In addition, JSDP12 applied TPR20,10 for dose quality index for photon beam. The purpose of this study is to compare JSDP12 with AAPM TG-51 addendum in order to establish optimal dosimetry procedure for FFF beam. Method: We evaluated the ion-recombination factor (ks) and the correction factor of radial beam profile (Prp) in FFF beam dosimetry. The ks was introduced by 2 voltages method and verified by Jaffe’s plot. The Prp was given by both film measurement and calculation of treatment planning system, and compared them. Next, we compared the dose quality indexes (kQ) between TPR20,10 method and PDD(10)x method. Finally we considered optimal dosimetry protocol for FFF photon beam using JSDP12 with referring TG-51 addendum protocols. The FFF photon beams of 6 MV (6X-FFF) and 10 MV (10X-FFF) from TrueBeam were investigated in this study. Results: The ks for 6X-FFF and 10X-FFF beams were 1.005 and 1.010, respectively. The Prp of 0.6 cc ionization chamber for 6X-FFF and 10X-FFF beams (Film, TPS) were (1.004, 1.008) and (1.005, 1.008), respectively. The kQ for 6X-FFF and 10X-FFF beams (JSDP12, TG-51 addendum) were (0.9950, 0.9947) and (0.9851, 0.9845), respectively. The most effective factor for uncertainty in FFF photon beam measurement was Prp for JSDP12 formalism. Total dosimetric differences between JSDP12 and TG-51 addendum for 6X-FFF and 10X-FFF were -0.47% and -0.73%, respectively. Conclusion: The total dosimetric difference between JSDP12 and TG-51 addendum was within 1%. The introduction of kQ given by JSDP is feasible for FFF photon beam dosimetry. However, we think Prp should be considered for optimal dosimetry procedure even if JSDP12 is used for FFF photon beam dosimetry.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2015

NEGF-DFT characterization of diarylethene photoswitches: Impact of substituents

In this presentation we report a theoretical study on the performance of diarylethene photoswitches. We start with a comparison between the electronic structures of different substituted diarylethene cores. Using a NEGF-DFT formalism we compute self-consistently transmission and IV curves with a focus on the impact of the substituents usually introduced for various synthetic and functional reasons. We find that the conductance properties of the diarylethene photoswitches are rather insensitive to these substitutions in the core. In the interpretation of our results, we make a connection between transmission spectra and molecular electronic properties.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Rovibrational states of Wigner molecules in spherically symmetric confining potentials

The strong-localization limit of three-dimensional Wigner molecules, in which repulsively interacting particles are confined by a weak spherically symmetric potential, is investigated. An explicit prescription for computation of rovibrational wavefunctions and energies that are asymptotically exact at this limit is presented. The prescription is valid for systems with arbitrary angularly-independent interparticle and confining potentials, including those involving Coulombic and screened (i.e., Yukawa/Debye) interactions. The necessary derivations are greatly simplified by explicit constructions of the Eckart frame and the parity-adapted primitive wavefunctions. The performance of the new formalism is illustrated with the three- and four-electron harmonium atoms at their strong-correlation limits. In particular, the involvement of vibrational modes with the E symmetry is readily pinpointed as the origin of the “anomalous” weak-confinement behavior of the {sup 1}S{sub +} state of the four-electron species that is absent in its {sup 1}D{sub +} companion of the strong-confinement regime.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Kinklike structures in an arcsin real scalar dynamics

Highlights: • Kinklike analyses in a real scalar theory with an arcsin dynamic. • First-order formalism implementation and deformation procedure in an arcsin scalar dynamics. In this paper, we analyze kink-like analytical solutions in a real scalar theory with an arcsin dynamics inspired by the arcsin electrodynamics presented in Kruglov (2015). This analysis is done by means of the first-order formalism. This formalism provides a framework where the equations of motion can be simplified by preserving the linear stability of the theory. In this work, the deformation procedure is implemented with the aim of finding exact solutions in systems with generalized dynamics. Along the paper, we explore how the first-order formalism is implemented in the arcsin kinetics and how such a term influences the kink-like solutions. As a part of the result of our paper, we show that the kink-like solutions are similar to the ones obtained in the standard scalar kinetic theory. We also show that the extra parameter, that controls the non-linearities of the model, plays an essential role in the energy densities and stability potentials. These quantities vary according to this parameter. The goals here are to show how the first-order framework is implemented in this arcsin scenario and to present the analytical kink-like solutions that can be found by means of the first-order framework and deformation method.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

570 mV photovoltage, stabilized n-Si/CoO x heterojunction photoanodes fabricated using atomic layer deposition

Heterojunction photoanodes, consisting of n-type crystalline Si(100) substrates coated with a thin ~50 nm film of cobalt oxide fabricated using atomic-layer deposition (ALD), exhibited photocurrent-onset potentials of -205 ± 20 mV relative to the formal potential for the oxygen-evolution reaction (OER), ideal regenerative solar-to-O 2 (g) conversion efficiencies of 1.42 ± 0.20%, and operated continuously for over 100 days (~2500 h) in 1.0 M KOH(aq) under simulated solar illumination. The ALD CoO x thin film: (i) formed a heterojunction with the n-Si(100) that provided a photovoltage of 575 mV under 1 Sun of simulated solar illumination; (ii) stabilized Si photoanodes that are otherwise unstable when operated in aqueous alkaline electrolytes; and, (iii) catalyzed the oxidation of water, thereby reducing the kinetic overpotential required for the reaction and increasing the overall efficiency relative to electrodes that do not have an inherently electrocatalytic coating. The process provides a simple, effective method for enabling the use of planar n-Si(100) substrates as efficient and durable photoanodes in fully integrated, photovoltaic-biased solar fuels generators.

14 SOLAR ENERGY↗
DOE OSTI2012

JETS FROM TIDAL DISRUPTIONS OF STARS BY BLACK HOLES

Tidal disruption of main-sequence stars by black holes has generally been thought to lead to a signal dominated by UV emission. If, however, the black hole spins rapidly and the poloidal magnetic field intensity on the black hole horizon is comparable to the inner accretion disk pressure, a powerful jet may form whose luminosity can easily exceed the thermal UV luminosity. When the jet beam points at Earth, its non-thermal luminosity can dominate the emitted spectrum. The thermal and non-thermal components decay differently with time. In particular, the thermal emission should remain roughly constant for a significant time after the period of maximum accretion, beginning to diminish only after a delay, whereas after the peak accretion rate, the non-thermal jet emission decays, but then reaches a plateau. Both transitions are tied to a characteristic timescale t{sub Edd} at which the accretion rate falls below Eddington. Making use of this timescale in a new parameter-inference formalism for tidal disruption events with significant emission from a jet, we analyze the recent flare source Swift J2058. It is consistent with an event in which a main-sequence solar-type star is disrupted by a black hole of mass {approx}4 Multiplication-Sign 10{sup 7} M{sub Sun }. The beginning of the flat phase in the non-thermal emission from this source can possibly be seen in the late-time light curve. Optical photometry over the first {approx_equal} 40 days of this flare is also consistent with this picture, but is only weakly constraining because the bolometric correction is very uncertain. We suggest that future searches for main-sequence tidal disruptions use methods sensitive to jet radiation as well as to thermal UV radiation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Road-corridor planning in the EIA procedure in Spain. A review of case studies

The assessment of different alternatives in road-corridor planning must be based on a number of well-defined territorial variables that serve as decision making criteria, and this requires a high-quality preliminary environmental assessment study. In Spain the formal specifications for the technical requirements stipulate the constraints that must be considered in the early stages of defining road corridors, but not how they should be analyzed and ranked. As part of the feasibility study of a new road definition, the most common methodology is to establish different levels of Territorial Carrying Capacity (TCC) in the study area in order to summarize the territorial variables on thematic maps and to ease the tracing process of road-corridor layout alternatives. This paper explores the variables used in 22 road-construction projects conducted by the Ministry of Public Works that were subject to the Spanish EIA regulation and published between 2006 and 2008. The aim was to evaluate the quality of the methods applied and the homogeneity and suitability of the variables used for defining the TCC. The variables were clustered into physical, environmental, land-use and cultural constraints for the purpose of comparing the TCC values assigned in the studies reviewed. We found the average quality of the studies to be generally acceptable in terms of the justification of the methodology, the weighting and classification of the variables, and the creation of a synthesis map. Nevertheless, the methods for assessing the TCC are not sufficiently standardized; there is a lack of uniformity in the cartographic information sources and methodologies for the TCC valuation. -- Highlights: • We explore 22 road-corridor planning studies subjected to the Spanish EIA regulation. • We analyze the variables selected for defining territorial carrying capacity. • The quality of the studies is acceptable (methodology, variable weighting, mapping). • There is heterogeneity in the methods for territorial carrying capacity valuation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Induced Superconducting Pairing in Integer Quantum Hall Edge States

Indium arsenide (InAs) near surface quantum wells (QWs) are promising for the fabrication of semiconductor–superconductor heterostructures given that they allow for a strong hybridization between the two-dimensional states in the quantum well and the ones in the superconductor. In this work, we present results for InAs QWs in the quantum Hall regime placed in proximity of superconducting NbTiN. We observe a negative downstream resistance with a corresponding reduction of Hall (upstream) resistance, consistent with a very high Andreev conversion. Further, we analyze the experimental data using the Landauer-Büttiker formalism, generalized to allow for Andreev reflection processes. We attribute the high efficiency of Andreev conversion in our devices to the large transparency of the InAs/NbTiN interface and the consequent strong hybridization of the QH edge modes with the states in the superconductor.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2012

SURVEY DESIGN FOR SPECTRAL ENERGY DISTRIBUTION FITTING: A FISHER MATRIX APPROACH

The spectral energy distribution (SED) of a galaxy contains information on the galaxy's physical properties, and multi-wavelength observations are needed in order to measure these properties via SED fitting. In planning these surveys, optimization of the resources is essential. The Fisher Matrix (FM) formalism can be used to quickly determine the best possible experimental setup to achieve the desired constraints on the SED-fitting parameters. However, because it relies on the assumption of a Gaussian likelihood function, it is in general less accurate than other slower techniques that reconstruct the probability distribution function (PDF) from the direct comparison between models and data. We compare the uncertainties on SED-fitting parameters predicted by the FM to the ones obtained using the more thorough PDF-fitting techniques. We use both simulated spectra and real data, and consider a large variety of target galaxies differing in redshift, mass, age, star formation history, dust content, and wavelength coverage. We find that the uncertainties reported by the two methods agree within a factor of two in the vast majority ({approx}90%) of cases. If the age determination is uncertain, the top-hat prior in age used in PDF fitting to prevent each galaxy from being older than the universe needs to be incorporated in the FM, at least approximately, before the two methods can be properly compared. We conclude that the FM is a useful tool for astronomical survey design.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2011

Development of collective structures over noncollective excitations in {sup 139}Nd

High-spin states in {sup 139}Nd were investigated using the reaction {sup 96}Zr({sup 48}Ca,5n) at a beam energy of 195 MeV and {gamma}-ray coincidences were acquired with the Euroball spectrometer. Apart from several dipole bands at medium excitation energy, three quadrupole bands have been observed at high spin. Linking transitions connecting two of the high-spin bands to low-energy states have been observed. Calculations based on the cranked-Nilsson-Strutinsky formalism have been used to assign configurations for the high-spin quadrupole bands.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2018

Locally coupled open subsystems: A formalism for affordable electronic structure calculations featuring fractional charges and size consistency

This manuscript introduces a methodology (within the Born-Oppenheimer picture) to compute electronic ground-state properties of molecules and solids/surfaces with fractionally occupied components. Given a user-defined division of the molecule into subsystems, our theory uses an auxiliary global Hamiltonian that is defined as the sum of subsystem Hamiltonians, plus the spatial integral of a second-quantized local operator that allows the electrons to be transferred between subsystems. This electron transfer operator depends on a local potential that can be determined using density functional approximations and/or other techniques such as machine learning. The present framework employs superpositions of tensor-product wave functions, which can satisfy size consistency and avoid spurious fractional charges at large bond distances. The electronic population of each subsystem is in general a positive real number and is obtained from wave-function amplitudes, which are calculated by means of ground-state matrix diagonalization (or matrix propagation in the time-dependent case). Furthermore, our method can provide pathways to explore charge-transfer effects in environments where dividing the molecule into subsystems is convenient and to develop computationally affordable electronic structure algorithms.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

Limitations in Determining Multifractal Spectra from Pore-Solid Soil Aggregate Images

Multifractal methods have the potential to be useful tools for characterizing spatial distributions of soil pores from microtomographic images of undisturbed soil cores and soil aggregates. The objective of this study was to examine the limitations of multifractal analyses in binary (void and solid) soil images and to explore conditions under which multifractal spectra can be obtained. Multifractal characteristics of binary soil images are bounded within certain limiting values corresponding to nonfractal scaling. In this study, we first addressed the theoretical limitations of multifractal analysis of binary images and examined the nonfractal scaling boundaries in multifractal calculations by the method of moments. Then we developed boundary conditions for multifractal calculations by the direct method. Results revealed that fractal scaling is potentially possible only across a relatively narrow range of cell sizes restricted by the nonfractal scaling boundaries. Moreover, the range of cell sizes where fractal scaling is potentially possible varies with pore size. That is, in multifractal calculations it changes continuously with changes in the q value. For the soil aggregates examined in this study, this range varied from two to eight pixels for low q values to 128 pixels for high q values. The varying range makes calculations of true multifractal spectra for binary soil image data impossible. These results are consistent with a general theoretical notion that binary soil images are not multifractal in a strict mathematical sense. We suggest, however, that application of multifractal formalism can generate 'pseudo-multifractal spectra' that might still be useful for summarizing pore distribution information and for comparing pore data among different agricultural management regimes and soil type.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2012

Geometric integration of the Vlasov-Maxwell system with a variational particle-in-cell scheme

A fully variational, unstructured, electromagnetic particle-in-cell integrator is developed for integration of the Vlasov-Maxwell equations. Using the formalism of discrete exterior calculus [Desbrun et al., e-print arXiv:math/0508341 (2005)], the field solver, interpolation scheme, and particle advance algorithm are derived through minimization of a single discrete field theory action. As a consequence of ensuring that the action is invariant under discrete electromagnetic gauge transformations, the integrator exactly conserves Gauss's law.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Diuranium(IV) Carbide Cluster U 2 C 2 Stabilized Inside Fullerene Cages

>Novel actinide cluster fullerenes, U 2 C 2 @ I h (7)-C 80 and U 2 C 2 @ D 3 h (5)-C 78 , were synthesized and fully characterized by mass spectrometry, single-crystal X-ray crystallography, UV–vis–NIR, nuclear magnetic resonance spectroscopy (NMR), X-ray absorption spectroscopy (XAS), Raman spectroscopy, IR spectroscopy, as well as density functional and multireference wave function calculations. The encapsulated U 2 C 2 is a novel example of a uranium carbide cluster featuring two U centers bridged by a C≡C unit. The U–C bond distances in these U 2 C 2 clusters are in the range between 2.130 and 2.421 Å. While the U 2 C 2 cluster in U 2 C 2 @C 80 adopts a butterfly-shaped geometry with a U–C 2 –U dihedral angle of 112.7° and a U–U distance of 3.855 Å, the U–U distance in U 2 C 2 @C 78 is 4.164 Å and the resulting U–C 2 –U dihedral angle is increased to 149.1°. The combined experimental and quantum-chemical results suggest that the formal U oxidation state is +4 in the U 2 C 2 cluster, and each U center transfers three electrons to the C 2 n cage and one electron to C 2 . Different from the strong U ＝ C covalent bonding reported for U 2 C 2 @ C 80 , the U–C bonds in U 2 C 2 are less covalent and predominantly ionic. The C–C triple bond is somewhat weaker than in HCCH, and the C–C π bonds undergo donation bonding with the U centers. This work shows that the combination of the unique encapsulation effect of fullerene cages and the variable oxidation states of actinide elements can lead to the stabilization of novel actinide clusters, which are not accessible by conventional synthetic methods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Low temperature dielectric and impedance studies on magnetoelectric Pb(Fe{sub 0.5}Nb{sub 0.5})O{sub 3} ceramic

The structural, microstructural, low temperature dielectric and impedance properties of Pb(Fe{sub 0.5}Nb{sub 0.5})O{sub 3} (PFN) ceramic prepared by single step solid-state reaction method have been investigated. Processing parameters such as calcination, sintering temperature and sintering durations were optimized to get better dielectric properties. It was found that the above ceramics sintered at 1050 °C for 4 hr exhibited single phase, maximum density and uniform microstructure. X-ray diffraction (XRD) and neutron diffraction (ND) reveals that the system exhibit single phase without any kind of secondary phases at room temperature (RT) with monoclinic crystal structure (Cm). Surface morphology of the compounds was studied by Scanning electron microscope (SEM). Impedance spectroscopy is used to study the electrical behaviour of PFN in the frequency range from 100Hz to 1MHz and in the temperature range from 120 to 293 K. The frequency-dependent electrical data are analyzed by impedance formalisms. The complex impedance shows the relaxation (conduction) mechanism in the sample.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Constructing tensor network influence functionals for general quantum dynamics

Here, we describe an iterative formalism to compute influence functionals that describe the general quantum dynamics of a subsystem beyond the assumption of linear coupling to a quadratic bath. We use a space-time tensor network representation of the influence functional and investigate its approximability in terms of its bond dimension and time-like entanglement in the tensor network description. We study two numerical models, the spin-boson model and a model of interacting hard-core bosons in a 1D harmonic trap. We find that the influence functional and the intermediates involved in its construction can be efficiently approximated by low bond dimension tensor networks in certain dynamical regimes, which allows the quantum dynamics to be accurately computed for longer times than with direct time evolution methods. However, as one iteratively integrates out the bath, the correlations in the influence functional can first increase before decreasing, indicating that the final compressibility of the influence functional is achieved via non-trivial cancellation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Compiler verification meets cross-language linking via data abstraction

Many real programs are written in multiple different programming languages, and supporting this pattern creates challenges for formal compiler verification. We describe our Coq verification of a compiler for a high-level language, such that the compiler correctness theorem allows us to derive partial-correctness Hoare-logic theorems for programs built by linking the assembly code output by our compiler and assembly code produced by other means. Our compiler supports such tricky features as storable cross-language function pointers, without giving up the usual benefits of being able to verify different compiler phases (including, in our case, two classic optimizations) independently. Here, the key technical innovation is a mixed operational and axiomatic semantics for the source language, with a built-in notion of abstract data types, such that compiled code interfaces with other languages only through axiomatically specified methods that mutate encapsulated private data, represented in whatever formats are most natural for those languages.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Systematic Extraction of Pion Parton Distributions Using Threshold Resummation and Applications to Pion TMDs

Following our recent Monte Carlo determination of the pion?s PDFs from Drell-Yan (DY) and leading neutron electroproduction data from the Jefferson Lab Angular Momentum (JAM) collaboration, we extend the analysis by including effects from threshold resummation. At higher orders in the strong coupling, ?S, soft gluon emissions cause large logarithmic corrections, which become important in the qq¯ channel of the DY partonic cross section near threshold. These corrections can be summed over all orders of ?S. However, different prescriptions exist for how the threshold resummation is implemented, for instance, using varying levels of approximation in the Minimal Prescription with cosine, expansion, and double Mellin methods. We present the Monte Carlo results of the first simultaneous fit of the valence, sea, and gluon distributions in the pion taking into account the ambiguities in the resummation calculations. The wide ranges of valence distributions at large x and the effective behavior of the valence distribution as x approaches 1 is discussed. While the PDFs are extracted through collinear factorization, we additionally present a dedicated study to the low and large lepton pair transverse momentum distributions (TMDs) in the same DY experimental data. By adjusting the nonperturbative TMD components, we analyze the degree of compatibility between data and theory across all regions of transverse momentum dependence. We attempt to match the description of the low transverse momentum region using Collins-Soper-Sterman (CSS) formalism and the large transverse momentum region, which is best described using collinear factorization.

Sato, Nobuo↗