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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Rapid metabolic pathway assembly and modification using serine integrase site-specific recombination

Synthetic biology requires effective methods to assemble DNA parts into devices and to modify these devices once made. Here we demonstrate a convenient rapid procedure for DNA fragment assembly using site-specific recombination by ΦC31 integrase. Using six orthogonal attP/attB recombination site pairs with different overlap sequences, we can assemble up to five DNA fragments in a defined order and insert them into a plasmid vector in a single recombination reaction. ΦC31 integrase-mediated assembly is highly efficient, allowing production of large libraries suitable for combinatorial gene assembly strategies. The resultant assemblies contain arrays of DNA cassettes separated by recombination sites, which can be used to manipulate the assembly by further recombination. We illustrate the utility of these procedures to (i) assemble functional metabolic pathways containing three, four or five genes; (ii) optimize productivity of two model metabolic pathways by combinatorial assembly with randomization of gene order or ribosome binding site strength; and (iii) modify an assembled metabolic pathway by gene replacement or addition.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2002

High-Power, High-Frequency Si-Based (SiGe) Transistors Developed

Future NASA, DOD, and commercial products will require electronic circuits that have greater functionality and versatility but occupy less space and cost less money to build and integrate than current products. System on a Chip (SOAC), a single semiconductor substrate containing circuits that perform many functions or containing an entire system, is widely recognized as the best technology for achieving low-cost, small-sized systems. Thus, a circuit technology is required that can gather, process, store, and transmit data or communications. Since silicon-integrated circuits are already used for data processing and storage and the infrastructure that supports silicon circuit fabrication is very large, it is sensible to develop communication circuits on silicon so that all the system functions can be integrated onto a single wafer. Until recently, silicon integrated circuits did not function well at the frequencies required for wireless or microwave communications, but with the introduction of small amounts of germanium into the silicon to make silicon-germanium (SiGe) transistors, silicon-based communication circuits are possible. Although microwavefrequency SiGe circuits have been demonstrated, there has been difficulty in obtaining the high power from their transistors that is required for the amplifiers of a transmitter, and many researchers have thought that this could not be done. The NASA Glenn Research Center and collaborators at the University of Michigan have developed SiGe transistors and amplifiers with state-of-the-art output power at microwave frequencies from 8 to 20 GHz. These transistors are fabricated using standard silicon processing and may be integrated with CMOS integrated circuits on a single chip. A scanning electron microscope image of a typical SiGe heterojunction bipolar transistor is shown in the preceding photomicrograph. This transistor achieved a record output power of 550 mW and an associated power-added efficiency of 33 percent at 8.4 GHz, as shown. Record performance was also demonstrated at 12.6 and 18 GHz. Developers have combined these state-of-the-art transistors with transmission lines and micromachined passive circuit components, such as inductors and capacitors, to build multistage amplifiers. Currently, a 1-W, 8.4-GHz power amplifier is being built for NASA deep space communication architectures.

Ponchak, George E.↗
NASA NTRS1989

Report on the multicolor pyrometry session at the Second NASA Non-Contact Temperature-Measurement Workshop

The session met jointly with the other special sessions. Due to time constraints, the concerns of multicolor pyrometry were not addressed in depth. Multicolor pyrometry attempts to determine an object's temperature and emittance as a function of wavelength from simultaneous measurement of the spectral radiance of the object at multiple wavelengths. The main issues are those of the most appropriate model for the wavelength dependence of the emittance, the number of undetermined parameters, and the error in the measured temperature. It has long been known that it is inappropriate to attempt to model the emittance with a functional form that contains as many unknowns as wavelengths. Such attempts will lead to gross errors in the measured temperature. However, more recent work by Hunter and Khan has indicated that emittance can be modeled by a function with many fewer degrees of freedom than sampled wavelengths (e.g., it may be appropriate to use a second order polynomial to fit data from a forty-color pyrometer). In a platform lecture, Khan described algorithms for determination of the parameters by minimization of the errors between the model and the data in a least-squares sense. The first was a linear method and the second was a non-linear method where the emittance could assume any functional form. Both methods were shown to be very sensitive to random noise and non-linearity in the measurement system.

Spjut, R. Erik↗
DOE OSTI2022

Data and scripts associated with the manuscript "Using Mutual Information for Global Sensitivity Analysis on Watershed Modeling"

This package contains the data and scripts used in "Using Mutual Information for Global Sensitivity Analysis on Watershed Modeling" (Jiang et al., 2022). The ARW_SWAT.zip file contains the SWAT simulation and the sensitivity analysis result in the American River Watershed. The Portage_SWAT.zip file contains the SWAT simulation and the sensitivity analysis result in the Portage River Watershed. The src folder contains the source code of sensitivity analysis and plotting functions. The notebooks folder contains the Jupyter notebooks for performing sensitivity analysis and other post analyses.Global Sensitivity Analysis (GSA) often is applied to assess the sensitivity of model outputs to their inputs using ensemble simulations. However, increasing model complexity and the associated computational cost have limited the use of most GSA approaches for process-based watershed models. We propose to use Mutual Information (MI) as a computationally efficient GSA method for watershed modeling. Such MI computed from several hundred realizations usually can capture nonlinear relationships between inputs and outputs of interest. We perform MI-based watershed sensitivity analyses in studies of the Portage River Watershed in Ohio and the American River Watershed in Washington. In these studies, MI is used to evaluate the sensitivity of river discharges simulated by the Soil and Water Assessment Tool to no less than 20 parameters for each watershed. Our MI-based sensitivity analyses achieved convergence with about 300~500 realizations, a small fraction of the ensemble size (i.e., several thousand) required by the Sobol method. Nevertheless, MI yields similar sensitivity ranking compared to the Sobol method, especially for sensitive parameters. Our study thus sheds new light on the use of MI as an affordable GSA method for computationally intensive models such as the hyper-resolution, watershed hydrobiogeochemical models.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1981

IGDS/TRAP Interface Program (ITIP). Detailed Design Specification (DDS)

The software modules which comprise the IGDS/TRAP Interface Program are described. A hierarchical input processing output (HIPO) chart for each user command is given. The description consists of: (1) function of the user command; (2) calling sequence; (3) moduls which call this use command; (4) modules called by this user command; (5) IGDS commands used by this user command; and (6) local usage of global registers. Each HIPO contains the principal functions performed within the module. Also included with each function are a list of the inputs which may be required to perform the function and a list of the outputs which may be created as a result of performing the function.

Jefferys, S.↗
DOE OSTI2017

Measurement of the dipole in the cross-correlation function of galaxies

It is usually assumed that in the linear regime the two-point correlation function of galaxies contains only a monopole, quadrupole and hexadecapole. Looking at cross-correlations between different populations of galaxies, this turns out not to be the case. In particular, the cross-correlations between a bright and a faint population of galaxies contain also a dipole. In this paper we present the first attempt to measure this dipole. We discuss the four types of effects that contribute to the dipole: relativistic distortions, evolution effect, wide-angle effect and large-angle effect. We show that the first three contributions are intrinsic anti-symmetric contributions that do not depend on the choice of angle used to measure the dipole. On the other hand the large-angle effect appears only if the angle chosen to extract the dipole breaks the symmetry of the problem. We show that the relativistic distortions, the evolution effect and the wide-angle effect are too small to be detected in the LOWz and CMASS sample of the BOSS survey. On the other hand with a specific combination of angles we are able to measure the large-angle effect with high significance. We emphasise that this large-angle dipole does not contain new physical information, since it is just a geometrical combination of the monopole and the quadrupole. However this measurement, which is in excellent agreement with theoretical predictions, validates our method for extracting the dipole from the two-point correlation function and it opens the way to the detection of relativistic effects in future surveys like e.g. DESI.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

(Small) resonant non-gaussianities: signatures of a discrete shift symmetry in the effective field theory of inflation

We apply the Effective Field Theory of Inflation to study the case where the continuous shift symmetry of the Goldstone boson π is softly broken to a discrete subgroup. This case includes and generalizes recently proposed String Theory inspired models of Inflation based on Axion Monodromy. The models we study have the property that the 2-point function oscillates as a function of the wavenumber, leading to oscillations in the CMB power spectrum. The non-linear realization of time diffeomorphisms induces some self-interactions for the Goldstone boson that lead to a peculiar non-Gaussianity whose shape oscillates as a function of the wavenumber. We find that in the regime of validity of the effective theory, the oscillatory signal contained in the n−point correlation functions, with n > 2, is smaller than the one contained in the 2-point function, implying that the signature of oscillations, if ever detected, will be easier to find first in the 2-point function, and only then in the higher order correlation functions. Still the signal contained in higher-order correlation functions, that we study here in generality, could be detected at a subleading level, providing a very compelling consistency check for an approximate discrete shift symmetry being realized during inflation.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1986

The importance of diffuse f functions for transition metals

The importance of a diffuse f function for determining the dissociation energy (De) of Cu2 and the 3F-3D energy separation in Ni atom is investigated. It is found that the diffuse f contributes at most 0.05 eV to the De of Cu2 when added to a basis containing tight f functions and a flexibly contracted d basis. The diffuse f function is found to decrease the 3F-3D separation in Ni, but by substantially less than the tight f functions.

Langhoff, S. R.↗
NASA NTRS1998

Oscillatory/Chaotic Thermocapillary Flow Induced by Radiant Heating

There is a continuing need to understand the fluid physics occurring under low gravity conditions in processes such as crystal growth, materials processing, and the movement of bubbles or droplets. The fluid flow in such situations is often caused by a gradient in interfacial tension. If a temperature gradient is created due to a heat source, the resulting flow is called thermocapillary flow, a special case of Marangoni Convection. In this study, an experimental investigation was conducted using silicone oil in cylindrical containers with a laser heat source at the free surface. It was desired to determine the conditions under which steady, axisymmetrical thermocapillary flow becomes unstable and oscillatory three-dimensional flow states develop. The critical Marangoni number for each observed oscillatory state was measured as a function of the container aspect ratio and the dynamic Bond number, a measure of buoyant force versus ii thermocapillary force. Various oscillatory modes were observed during three- dimensional convection, and chaotic flow was reached in one test condition. The critical Marangoni numbers are compared with those measured in previous studies, and the power spectra and phase trajectories of the instantaneous surface temperature distributions are used to characterize the routes of transitions to the chaotic flow state. Results show that only superharmonic modes appear in the routes to chaos while infinite number of subharmonic modes occur in flow transitions for pure Rayleigh convection.

DeWitt, Kenneth J.↗
DOE OSTI2019

Organic Nanotube with Subnanometer, pH-Responsive Lumen

While many synthetic nanotubes with a hydrophobic lumen and fast molecular transport have been developed, decorating the interior of these channels with polar and/or responsive functional groups remains challenging. In transmembrane proteins like the aquaporin and M2 channels, the presence of histidine residues in a mostly hydrophobic channel has led to enhanced selectivity and pH-based activation. In this paper, we report the synthesis of Bzim-CP, a cyclic octapeptide that contains a benzimidazole functionality as a chemical and structural mimic of histidine. Bzim-CP undergoes different protonation states, forms subnanometer nanotubes, and projects two different ionizable functionalities into the lumen. Present studies open up synthetic possibilities to functionalize subnanometer porous channels as a basis toward understanding new transport phenomena.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Influencing Bonding Interactions of the Neptunyl (V, VI) Cations with Electron-donating and -withdrawing Groups

Neptunium makes up the largest percentage of minor actinides found in spent nuclear fuel, yet separations of this element have proven difficult due to its rich redox chemistry. Developing new reprocessing techniques should rely on understanding how to control the Np oxidation state and its interactions with different ligands. Designing new ligands for separations requires understanding how to properly tune a system toward a desired trait through functionalization. Emerging technologies for minor actinide separations focus on ligands containing carboxylate or pyridine functional groups, which are desirable due to their high degree of functionalization. So we use DFT calculations to study the interactions of carboxylate and polypyridine ligands with the neptunyl cation [Np(V/VI)O2] +/2+ . A systematic study is performed by varying the electronic properties of the carboxylate and polypyridine ligands through the inclusion of different electron-withdrawing and electron-donating R groups. We focus on how these groups can affect geometric properties, electronic structure, and bonding characterization as a function of the metal oxidation state and ligand character and discuss how these factors can play a role in neptunium ligand design principles.

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

On path-dependence of the QCD correlation functions

Gauge-invariant hadronic and vacuum correlation functions in QCD contain the systems of Wilson lines and loops having complicated geometrical structure. Path-dependence propagates, therefore, into such important properties of the quantum correlators as the renormalization-group behaviour, light-cone peculiarities, evolution, etc. In the present paper, I briefly overview several instructive examples of the manifestations of the structure of paths in the hadronic and vacuum correlation functions with explicit transverse momentum/distance dependence. In particular, the transverse-momentum dependent (TMD) parton densities and the skewed jet quenching parameter in Euclidean and Minkowski space-time are addressed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Soft X-ray Emission Spectroscopy of Phosphorus Compounds for Energy Conversion and Storage

Phosphorus (P) is a ubiquitous component of materials for energy conversion and storage. Despite the effectiveness of soft X-ray emission spectroscopy (XES) to characterize these complex materials, XES studies of P-containing compounds are still largely missing. In this investigation, the electronic structure and XES signatures from the P L 2,3 -edge are probed for nine solid-state P-containing compounds characterized by various oxidation states and chemical environments: GaP (3−) , InP (3−) , red-P (0) , H 3 P (3+) O 3 , Na 2 H 2 P 2 (4+) O 6 , H 3 P (5+) O 4 , KH 2 P (5+) O 4 , Na 2 HP (5+) O 4 , and InP (5+) O 4 . The XES spectrum of each material exhibits distinct spectral fingerprints, which provide a robust basis for the speciation of complex P-containing samples. Density functional theory calculations shed light on the electronic structure of selected materials and particularly on the effect of phosphorus-oxygen hybridization. This study provides a comprehensive understanding of P L 2,3 XES spectral fingerprints across a wide range of oxidation states and chemical environments. These data sets and insights pave the way for dedicated future work, such as in situ and operando investigations of P-containing compounds in energy-related applications, where speciation of P compounds is needed.

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

POLARIZED SYNCHROTRON EMISSIVITIES AND ABSORPTIVITIES FOR RELATIVISTIC THERMAL, POWER-LAW, AND KAPPA DISTRIBUTION FUNCTIONS

Synchrotron emission and absorption determine the observational appearances of many astronomical systems. In this paper, we describe a numerical scheme for calculating synchrotron emissivities and absorptivities in all four Stokes parameters for arbitrary gyrotropic electron distribution functions, building on earlier work by Leung, Gammie, and Noble. We use this technique to evaluate the emissivities and the absorptivities for a thermal (Maxwell–Jüttner), isotropic power-law, and an isotropic kappa distribution function. The latter contains a power-law tail at high particle energies that smoothly merges with a thermal core at low energies, as is characteristic of observed particle spectra in collisionless plasmas. We provide fitting formulae and error bounds on the fitting formulae for use in codes that solve the radiative transfer equation. The numerical method and the fitting formulae are implemented in a compact C library called symphony. We find that the kappa distribution has a source function that is indistinguishable from a thermal spectrum at low frequency and transitions to the characteristic self-absorbed synchrotron spectrum, ∝ν{sup 5/2}, at high frequency; the linear polarization fraction for a thermal spectrum is near unity at high frequency; and all distributions produce O(10%) circular polarization at low frequency for lines of sight sufficiently close to the magnetic field vector.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

FATES size- and age-dependent mortality simulation outputs, 2019

This dataset contains outputs from the Functionally Assembled Terrestrial Ecosystem Simulator (FATES) and accompanies the paper “Needham, J.F., Chambers, J., Fisher, R., Knox, R., and Koven, C. D., Forest responses to simulated elevated CO2 under alternate hypotheses of size- and age-dependent mortality, 2020, Global Change Biology”. Data are unprocessed FATES outputs from size- and age-dependent mortality simulations which were run to test the effect of different mechanisms of mortality on forest response to elevated CO2 (eCO2). Specifically, this data package contains single plant functional type (PFT) simulations in which mortality is either a constant background rate, size-dependent or age-dependent. In each case, a simulation with constant woody NPP is compared to a simulation in which woody NPP increases by 25% to simulate the growth response of forests to eCO2. Ensemble simulations with size- and age-dependent mortality and two PFTs test the impact of different demographic rates on coexistence and the forest response to eCO2. Finally, the dataset includes simulations testing the sensitivity of results to allometry and to the recruitment scheme.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Hole-Trapping-Induced Stabilization of Ni 4+ in SrNiO 3 /LaFeO 3 Superlattices

Creating new functionality in materials containing transition metals is predicated on our ability to control the associated charge states. For a given metal, forming lower oxidation states is typically easier than generating higher values, and there is an upper limit on valence that is not exceeded under normal conditions. Here we demonstrate that we can exceed the normal upper limit of 3+ for Ni and Fe via synthesis of (SrNiO 3 )m/(LaFeO 3 )n superlattices by tuning n and m. The Goldschmidt tolerance constraints are lifted and SrNi 4+ O 3 with holes on adjacent O anions can be stabilized as a perovskite at the single unit cell level (m = 1). Spectroscopy reveals that the n = 1 superlattice contains Ni 3+ and Fe 4+ , whereas Ni 4+ and Fe 3+ are observed in the n = 5 superlattice. Here, our results show that the B-site cation valences can be tuned by controlling the magnitude of the FeO6 octahedral rotations which in turn drive the energy balance between Ni 3+ /Fe 4+ and Ni 4+ /Fe 3+ , thus controlling emergent electrical properties such as the band alignment and resulting hole confinement. We suggest that this approach may be generally useful for synthesizing novel, metastable layered structures with new functionalities.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Time evolution of ML-MCTDH wavefunctions. II. Application of the projector splitting integrator

The multi-layer multi-configuration time-dependent Hartree (ML-MCTDH) approach can suffer from numerical instabilities whenever the wavefunction is weakly entangled. These instabilities arise from singularities in the equations of motion (EOMs) and necessitate the use of regularization of the EOMs. The Projector Splitting Integrator (PSI) has previously been presented as an approach for evolving ML-MCTDH wavefunctions that is free of singularities. Here, we will discuss the implementation of the multi-layer PSI with a particular focus on how the steps required relate to those required to implement standard ML-MCTDH. We demonstrate the efficiency and stability of the PSI for large ML-MCTDH wavefunctions containing up to hundreds of thousands of nodes by considering a series of spin-boson models with up to 106 bath modes and find that for these problems, the PSI requires roughly 3–4 orders of magnitude fewer Hamiltonian evaluations and 2–3 orders of magnitude fewer Hamiltonian applications than standard ML-MCTDH and 2–3/1–2 orders of magnitude fewer evaluations/applications than approaches that use improved regularization schemes. Finally, we consider a series of significantly more challenging multi-spin-boson models that require much larger numbers of single-particle functions with wavefunctions containing up to ~1.3×10 9 parameters to obtain accurate dynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗