Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “State functions”

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 1,333 records · Page 74
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Tailoring the Physicochemical Properties of Nb Thin Films via Surface Engineering Methods

The modification of surface oxide layers formed on niobium (Nb) thin films via chemical mechanical planarization (CMP) and accelerated neutral atom beam (ANAB) processing provides a promising route toward tailoring their emergent properties and performance when used as superconducting qubits. Here, in this study, we show that CMP- and ANAB-formed Nb oxides are significantly thinner and smoother than the native oxide, as revealed by transmission electron microscopy (TEM) and atomic force microscopy. Scanning TEM and energy-dispersive X-ray spectroscopy along with X-ray photoelectron spectroscopy identified an oxidation gradient within the native and surface-engineered oxides. The topside layer is dominated by Nb 5+ (Nb 2 O 5 ), with various Nb suboxides present closer to the oxide/metal interface. Time-of-flight secondary ion mass spectrometry (ToF-SIMS) depth profiling confirmed the presence of an oxygen content gradient and demonstrated the enhanced resistance of the CMP- and ANAB-formed oxides to oxygen surface exchange and subsequent diffusion via 18 O 2 isotopic labeling experiments. ToF-SIMS also identified an interfacial layer containing trapped hydrogen (H)-containing species at the Nb oxide/metal interface. In situ ToF-SIMS and TEM revealed migration of the H/OH interfacial layer coinciding with decomposition of the surface oxide. Furthermore, our density functional theory calculations indicated that both H from moisture present in ambient air and bulk H in Nb films tend to segregate at the interface. These findings underscore the importance of understanding surface oxidation mechanisms, hydrogen incorporation, and their impact on the designed functionalities of Nb-based devices.

36 MATERIALS SCIENCE↗
NASA NTRS1998

Perimeter Governed Minority Carrier Lifetimes in 4H-SiC p(+)-n Diodes Measured by Reverse Recovery Switching Transient Analysis

Minority carrier lifetimes in epitaxial 4H-SiC p(+)-n junction diodes were measured via an analysis of reverse recovery switching characteristics. Behavior of reverse recovery storage time (t(s)) as a function of initial ON-state forward current (I(F)) and OFF-state reverse current (I(R)) followed well-documented trends which have been observed for decades in silicon p-n rectifiers. Average minority carrier (hole) lifetimes (tau(p)) calculated from plots of t(s) vs I(R)/I(F) strongly decreased with decreasing device area. Bulk and perimeter components of average hole lifetimes were separated by plotting 1/tau(p) as a function of device perimeter-to- area ratio (P/A). This plot reveals that perimeter recombination is dominant in these devices, whose areas are all less than 1 sq mm. The bulk minority carrier (hole) lifetime extracted from the 1/tau(p) vs P/A plot is approximately 0.7 micro-s, well above the 60 ns to 300 ns average iit'eptimes obtained when perimeter recombination effects are ignored in the analysis. Given the fact that there has been little previous investigation of bipolar diode and transistor performance as a function of perimeter-to-area ratio, this work raises the possibility that perimeter recombination may be partly responsible for poor effective minority carrier lifetimes and limited performance obtained in many previous SiC bipolar junction devices.

Neudeck, Philip G.↗
DOE OSTI2023

An expectation–maximization framework for comprehensive prediction of isoform-specific functions

Advances in RNA sequencing technologies have achieved an unprecedented accuracy in the quantification of mRNA isoforms, but our knowledge of isoform-specific functions has lagged behind. There is a need to understand the functional consequences of differential splicing, which could be supported by the generation of accurate and comprehensive isoform-specific gene ontology annotations. We present isoform interpretation, a method that uses expectation–maximization to infer isoform-specific functions based on the relationship between sequence and functional isoform similarity. We predicted isoform-specific functional annotations for 85 617 isoforms of 17 900 protein-coding human genes spanning a range of 17 430 distinct gene ontology terms. Comparison with a gold-standard corpus of manually annotated human isoform functions showed that isoform interpretation significantly outperforms state-of-the-art competing methods. We provide experimental evidence that functionally related isoforms predicted by isoform interpretation show a higher degree of domain sharing and expression correlation than functionally related genes. We also show that isoform sequence similarity correlates better with inferred isoform function than with gene-level function.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1973

Conic state extrapolation

The Conic State Extrapolation Routine provides the capability to conically extrapolate any spacecraft inertial state vector either backwards or forwards as a function of time or as a function of transfer angle. It is merely the coded form of two versions of the solution of the two-body differential equations of motion of the spacecraft center of mass. Because of its relatively fast computation speed and moderate accuracy, it serves as a preliminary navigation tool and as a method of obtaining quick solutions for targeting and guidance functions. More accurate (but slower) results are provided by the Precision State Extrapolation Routine.

Shepperd, S. W.↗
NASA NTRS1979

Satellite Observations of Rapidly Varying Cosmic X-ray Sources

The X-ray source data obtained with the high energy celestial X-ray detector on the Orbiting Solar Observatory -8 are presented. The results from the 1977 Crab observation show nonstatistical fluctuations in the pulsed emission and in the structure of the integrated pulse profile which cannot be attributed to any known systematic effect. The Hercules observations presented here provide information on three different aspects of the pulsed X-ray emission: the variation of pulsed flux as a function of the time from the beginning of the ON-state, the variation of pulsed flux as a function of binary phase, and the energy spectrum of the pulse emission.

Maurer, G. S.↗
DOE OSTI2025

Density Functional Tight Binding Insights into Plasmonic Silver–Platinum Nanoparticles and Alloys for Enhanced Photocatalysis

Developing accurate and efficient Slater-Koster (SK) tight-binding parameter sets is essential for quantum plasmonic studies of alloyed metal nanoparticles, as conventional time dependent density functional theory (TD-DFT) calculations are computationally prohibitive for larger clusters. In this work, we develop and validate density functional tight binding (DFTB) parameter sets for both ground state (GS-SK) and excited state (ES-SK) calculations to study the structural, electronic, and optical properties of silver (Ag), platinum (Pt), and Ag–Pt nanoalloys. Our investigation of the ground state properties demonstrates that the GS-SK parameters enable DFTB to closely reproduce the electronic structures of platinum clusters with diverse sizes and geometries – showing qualitative agreement with DFT for density of states (DOS) profiles and energy levels. The ES-SK parameters accurately describe excited-state properties compared to TD-DFT reference calculations, including the broad, featureless absorption profiles of Pt that are dominated by interband transitions. Using the ES-SK parameters within a real-time TD-DFTB framework, we compute size-dependent optical absorption spectra of Ag, Pt and Ag-Pt nanocubes containing up to 1099 atoms (size ∼4.18 nm). A detailed study of Ag–Pt and Pt-Ag core–shell nanoparticles shows quenching of the Ag plasmon resonance even at monolayer coverage for Ag-Pt, but not for Pt-Ag. We also show how to define submonolayer Ag-core Pt-shell cubic structures that have similar optical properties to those generated experimentally for much larger particles, which offers potential for describing plasmon-enhanced photocatalysis. Collectively, the GS-SK and ES-SK parameter sets provide an accurate, computationally efficient approach for modeling the complex optical and electronic behavior of noble–transition metal nanostructures and their alloys.

SPR↗
DOE OSTI2020

Positronium: an illustration of nonperturbative renormalization in a basis light-front approach

We calculate the mass spectrum and the structure of the positronium system at a strong coupling in a basis light-front approach. We start from the light-front QED Hamiltonian and retain one dynamical photon in our basis. We perform the fermion mass renormalization associated with the nonperturbative fermion self-energy correction. We present the resulting mass spectrum and wave functions for the selected low-lying states. Next, we apply this approach to QCD and calculate the heavy meson system with one dynamical gluon retained. We illustrate the obtained mass spectrum and wave functions for the selected low-lying states.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Nuclear Dynamics and Reactions in the Ab Initio Symmetry-Adapted Framework

We review the ab initio symmetry-adapted (SA) framework for determining the structure of stable and unstable nuclei, along with related electroweak, decay, and reaction processes. This framework utilizes the dominant symmetry of nuclear dynamics, the shape-related symplectic [Formula: see text] symmetry, which has been shown to emerge from first principles and to expose dominant degrees of freedom that are collective in nature, even in the lightest species or seemingly spherical states. This feature is illustrated for a broad scope of nuclei ranging from helium to titanium isotopes, enabled by recent developments of the ab initio SA no-core shell model expanded to the continuum through the use of the SA basis and that of the resonating group method. The review focuses on energies, electromagnetic transitions, quadrupole and magnetic moments, radii, form factors, and response function moments for ground-state rotational bands and giant resonances. The method also determines the structure of reaction fragments that is used to calculate decay widths and α-capture reactions for simulated X-ray burst abundance patterns, as well as nucleon–nucleus interactions for cross sections and other reaction observables.

Physics↗
DOE OSTI2020

All-solid-state Z-scheme BiVO 4 –Bi 6 O 6 (OH) 3 (NO 3 ) 3 heterostructure with prolonging electron-hole lifetime for enhanced photocatalytic hydrogen and oxygen evolution

As a visible-light response photocatalyst, BiVO 4 is widely used in photocatalytic oxygen evolution. In this study, a novel BiVO 4 –Bi 6 O 6 (OH) 3 (NO 3 ) 3 (BBN) heterostructure fabricates via a simple one-pot hydrothermal approach is certified to effectively restrain the recombination of carriers by efficient spatial charge separation. By employing BBN as a reductive-function photocatalyst, a solid-state Z-scheme is constructed to improve the photo-redox capacity of BiVO 4 and hydrogen production is realized in the BiVO 4 –BBN heterostructure for the first time. Furthermore, the solid-state Z-scheme introduced in the BiVO 4 –BBN ensures the photoexcited carriers with the powerful redox capacity to participate in the photocatalytic reaction.

36 MATERIALS SCIENCE↗
NASA NTRS1999

Data Assimilation Into a Coupled Ocean Atmosphere Model: Application to the 1997-1998 El Nino

As part of JPL's ocean data assimilation effort to study ocean circulation and seasonal-interannual climate variability, sea level anomaly observed by TOPEX altimeter, together with sea surface temperature and wind stress data, are assimilated into a simple coupled ocean atmosphere model of the tropical Pacific. Model-data consistency is examined. Impact of the assimilation (as initialization) on El Nino Southern Oscillation (ENSO) forecasts is evaluated. The coupled model consists of a shallow water component with two baroclinic modes, an Ekman shear layer, a simplified mixed-layer temperature equation, and a statistical atmosphere based on dominant correlations between historical surface temperature and wind stress anomaly data. The adjoins method is used to fit the coupled model to the data over various six-month periods from late 1996 to early 1998 by optimally adjusting the initial state, model parameters, and basis functions of the statistical atmosphere. On average, the coupled model can be fitted to the data to approximately within the data and representation errors (5 cm, 0.5 C, and 10 sq m/sq m for sea level, surface temperature, and pseudo wind stress anomalies, respectively). The estimated fields resemble observed spatio-temporal structure reasonably well. Hindcasts/forecasts of the 1997/1998 El Nino initialized from forced estimated ocean states and parameters are much more realistic than those simply initialized from ocean states (see figure below). In particular, the ability of the model to produce significant warming beyond the initial state is dramatically improved. Parameter estimation, which compensates for some model errors, is found to be important to obtaining better fits of the model to data and to improving forecasts.

Lee, Tong↗
DOE OSTI2025

Selective reduction in epitaxial SrFe 0.5 Co 0.5 O 2.5 and its reversibility

Oxygen-vacancy engineering in transition metal oxides enables programmable functionalities by modulating the valence states and local coordination of constituents. Here, we report the selective reduction of cobalt ions in epitaxial SrFe 0.5 Co 0.5 O 2.5 thin films under reducing gas environments, while iron ions remain unchanged. X-ray absorption spectroscopy reveals an absorption edge shift of 1.65 eV in the Co L-edge upon reduction, and multiplet simulations estimate a decrease in the average Co valence from Co 2.91+ to Co 2.00+ . This site- and element-specific reduction leads to the formation of a structurally distinct oxygen-deficient phase stabilized by oxygen vacancies at tetrahedral sites, as confirmed by density functional theory. Optical spectroscopy reveals an increase in the bandgap from 2.47 eV to 3.04 eV, accompanied by enhanced transparency. Furthermore, simultaneous in situ diffraction and transport measurements confirm fully reversible redox-driven transitions among three phases: reduced defective perovskite, brownmillerite, and oxygen-rich perovskite phases. These findings demonstrate that selective redox control in multi-cation oxides enables the realization of chemically and functionally distinct oxygen-deficient phases.

Fuel cells↗
NASA NTRS1998

Perimeter Governed Minority Carrier Lifetimes in 4H-SiC p+n Diodes Measured by Reverse Recovery Switching Transient Analysis

Minority carrier lifetimes in epitaxial 4H-SiC p-n junction diodes were measured via an analysis of reverse recovery switching characteristics. Behavior of reverse recovery storage time (t(sub s)) as a function of initial ON-state forward current (I(sub f)) and OFF-state reverse current (I(sub R)) followed well-documented trends which have been observed for decades in silicon p-n rectifiers. Average minority carrier (hole) lifetimes (tau(sub p)) calculated from plots of t(sub s) vs I(sub R)/I(sub F) strongly decreased with decreasing device area. Bulk and perimeter components of average hole lifetimes were separated by plotting tau(sub p) as a function of device perimeter-to-area ratio (P/A). This plot reveals that perimeter recombination is dominant in these devices, whose areas are all less than 1 square mm. The bulk minority carrier (hole) lifetime extracted from the 1/Tau(sub p) vs P/A plot is approximately 0.7 microns, well above the 60 ns to 300 ns average lifetimes obtained when perimeter recombination effects are ignored in the analysis. Given the fact that there has been little previous investigation of bipolar diode and transistor performance as a function of perimeter-to-area ratio, this work raises the possibility that perimeter recombination may be partly responsible for poor effective minority carrier lifetimes and limited performance obtained in many previous SiC bipolar junction devices.

Neudeck, Philip G.↗
DOE OSTI2022

From vertices to vortices in magnetic nanoislands

We report recent studies in magnetic nanoarrays show that a variety of complex magnetic states and textures emerge as a function of a single magnetic nanoisland's aspect ratio. We propose a model that, in addition to fitting experiments, predicts magnetic states with continuous symmetry at particular aspect ratios and reveals a duality between vortex and vertex states. Our model opens new means of engineering novel types of artificial spin systems, and their application to complex magnetic textures in devices and computing.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Maxwell–Boltzmann statistics of the quantum ideal gas in the canonical ensemble

Abstract The Maxwell–Boltzmann statistics of the quantum ideal gas is studied through the canonical partition function by exactly counting discrete quantum states without the continuum approximation. Analytic expressions for energy, pressure, entropy, and heat capacity are expressed in terms of Jacobi theta functions and complete elliptic integrals. The results show typical effects of discrete energy levels in the low temperature limit while they reproduce thermodynamics of the classical ideal gas in the high temperature limit.

Mechanics↗
NASA NTRS1969

Exact minimal-state system reliability analysis

System reliability equation, an exact function of component reliabilities, for a system with a finite number of points is derived from the minimal states which are found by logical analysis of the configuration. The numerical value is obtained by substituting the component reliabilities or unreliabilities.

Locks, M. O.↗
NASA NTRS1990

Application of the embedded atom method to Pb and Be

We have derived the embedding energy functional and two-body potential of the embedded atom method using decreasing exponentials for both the electron density and the two body potential. The embedding function was obtained from the equation of state given by Rose et al. (1984). Because of the form of the embedding function, the equilibrium lattice constant, cohesive energy, and bulk modulus are automatically satisfied. The two parameters phi(e) and gamma of the two-body potential were determined by fitting to shear modulus and the single vacancy formation energy. Contributions of up to the third nearest neighbors were included in the evaluation of the charge density rho and the two-body potential phi. The stability and anisotropy of each structure were estimated and compared with the available experimental data.

Karimi, M.↗
NASA NTRS1997

Variational Methods in Design Optimization and Sensitivity Analysis for Two-Dimensional Euler Equations

Variational methods (VM) sensitivity analysis employed to derive the costate (adjoint) equations, the transversality conditions, and the functional sensitivity derivatives. In the derivation of the sensitivity equations, the variational methods use the generalized calculus of variations, in which the variable boundary is considered as the design function. The converged solution of the state equations together with the converged solution of the costate equations are integrated along the domain boundary to uniquely determine the functional sensitivity derivatives with respect to the design function. The application of the variational methods to aerodynamic shape optimization problems is demonstrated for internal flow problems at supersonic Mach number range. The study shows, that while maintaining the accuracy of the functional sensitivity derivatives within the reasonable range for engineering prediction purposes, the variational methods show a substantial gain in computational efficiency, i.e., computer time and memory, when compared with the finite difference sensitivity analysis.

Ibrahim, A. H.↗