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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 1,117 records · Page 62
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Does one need a 4.5 K screen in cryostats of superconducting accelerator devices operating in superfluid helium? lessons from the LHL

Superfluid helium is increasingly used as a coolant for superconducting devices in particle accelerators: the lower temperature enhances the performance of superconductors in high-field magnets and reduces BCS losses in RF acceleration cavities, while the excellent transport properties of superfluid helium can be put to work in efficient distributed cooling systems. The thermodynamic penalty of operating at lower temperature however requires careful management of the heat loads, achieved inter alia through proper design and construction of the cryostats. A recurrent question appears to be that of the need and practical feasibility of an additional screen cooled by normal helium at around 4.5 K surrounding the cold mass at about 2 K, in such cryostats equipped with a standard 80 K screen. We introduce the issue in terms of first principles applied to the configuration of the cryostats, discuss technical constraints and economical limitations, and illustrate the argumentation with examples taken from large projects confronted with this issue, i.e. CEBAF, SPL, ESS, LHC, TESLA, European X-FEL, ILC.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Lessons from LHC elastic and diffractive data

In the light of LHC data, we discuss the global description of all high-energy elastic and diffractive data, using a one-pomeron model, but including multi-pomeron interactions. The LHC data indicate the need of a k{sub t}(s) behaviour, where k{sub t} is the gluon transverse momentum along the partonic ladder structure which describes the pomeron. We also discuss tensions in the data, as well as the t dependence of the slope of dσ{sub el}/dt in the small t domain.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Lessons from intramolecular singlet fission with covalently bound chromophores

Molecular dimers, oligomers, and polymers are versatile components in photophysical and optoelectronic architectures that could impact a large variety of applications. We present a perspective on such systems in the field of singlet fission, which effectively multiplies excitons and produces a unique excited state species, the triplet pair. The choice of chromophore and the nature of the attachment between units, both geometrical and chemical, play a defining role in the dynamical scheme that evolves upon photoexcitation. Specific final outcomes (e.g., separated and uncorrelated triplet pairs) are being sought through rational design of covalently bound chromophore architectures built with guidance from recent fundamental studies that correlate structure with excited state population flow kinetics.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Beyond the electric-dipole approximation in simulations of x-ray absorption spectroscopy: Lessons from relativistic theory

Herein we present three schemes to go beyond the electric-dipole approximation in x-ray absorption spectroscopy calculations within a four-component relativistic framework. The first is based on the full semi-classical light–matter interaction operator and the two others on a truncated interaction within the Coulomb gauge (velocity representation) and multipolar gauge (length representation). We generalize the derivation of the multipolar gauge to an arbitrary expansion point and show that the potentials corresponding to different expansion points are related by a gauge transformation, provided that the expansion is not truncated. This suggests that the observed gauge-origin dependence in the multipolar gauge is more than just a finite-basis set effect. The simplicity of the relativistic formalism enables arbitrary-order implementations of the truncated interactions, with and without rotational averaging, allowing us to test their convergence behavior numerically by comparison to the full formulation. We confirm the observation that the oscillator strength of the electric-dipole allowed ligand K -edge transition of TiCl 4 , when calculated to the second order in the wave vector, becomes negative but also show that inclusion of higher-order contributions allows convergence to the result obtained using the full light–matter interaction. However, at higher energies, the slow convergence of such expansions becomes dramatic and renders such approaches at best impractical. When going beyond the electric-dipole approximation, we therefore recommend the use of the full light–matter interaction.

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

Lessons from combined experimental and theoretical examination of the FTIR and 2D-IR spectroelectrochemistry of the amide I region of cytochrome c</em

Amide I difference spectroscopy is widely used to investigate protein function and structure changes. In this article, we show that the common approach of assigning features in amide I difference signals to distinct secondary structure elements in many cases may not be justified. Evidence comes from Fourier transform infrared (FTIR) and 2D-IR spectroelectrochemistry of the protein cytochrome c in the amide I range, in combination with computational spectroscopy based on molecular dynamics (MD) simulations. This combination reveals that each secondary structure unit, such as an alpha-helix or a beta-sheet, exhibits broad overlapping contributions, usually spanning a large part of the amide I region, which in the case of difference absorption experiments (such as in FTIR spectroelectrochemistry) may lead to intensity-compensating and even sign-changing contributions. We use cytochrome c as the test case, as this small electron-transferring redox-active protein contains different kinds of secondary structure units. Upon switching its redox-state, the protein exhibits a different charge distribution while largely retaining its structural scaffold. Our theoretical analysis suggests that the change in charge distribution contributes to the spectral changes and that structural changes are small. However, in order to confidently interpret FTIR amide I difference signals in cytochrome c and proteins in general, MD simulations in combination with additional experimental approaches such as isotope labeling, the insertion of infrared labels to selectively probe local structural elements will be required. In case these data are not available, a critical assessment of previous interpretations of protein amide I 1D- and 2D-IR difference spectroscopy data is warranted.

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

Lessons learned from first-principles calculations of transition metal oxides

Transition metal oxides (TMOs) are an important class of materials with diverse applications, ranging from memristors to photoelectrochemical cells. First-principles calculations are critical for understanding these complex materials at an atomic level and establishing relationships between atomic and electronic structures, particularly for probing quantities difficult or inaccessible to experiment. Here, we discuss computational strategies used to understand TMOs by focusing on two examples, a photoanode material, BiVO4, and an oxide for low-power electronics, La1−xSrxCoO3. We highlight key aspects required for the modeling of TMOs, namely, the descriptions of how oxygen vacancies, extrinsic doping, the magnetic state, and polaron formation impact their electronic and atomic structures and, consequently, many of the observed properties.

Vo, Hien (ORCID:0000000158315599)↗
DOE OSTI2015

Biomimetics: Lessons on optics from nature’s school

The spectacular colors of living creatures are often produced by intricate arrays of photonic elements, including some that researchers wouldn’t otherwise have thought of.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

The lessons learned from ephemeral nuclei

Recent experimental analyses of fleeting clusters of protons and neutrons put the very notion of the atomic nucleus in a new light.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2011

Evidence on How a Conserved Glycine in the Hinge Region of HapR Regulates Its DNA Binding Ability: LESSONS FROM A NATURAL VARIANT.

HapR has been recognized as a quorum-sensing master regulator in Vibrio cholerae. Because it controls a plethora of disparate cellular events, the absence of a functional HapR affects the physiology of V. cholerae to a great extent. In the current study, we pursued an understanding of an observation of a natural protease-deficient non-O1, non-O139 variant V. cholerae strain V2. Intriguingly, a nonfunctional HapR (henceforth designated as HapRV2) harboring a substitution of glycine to aspartate at position 39 of the N-terminal hinge region has been identified. An in vitro gel shift assay clearly suggested the inability of HapRV2 to interact with various cognate promoters. Reinstatement of glycine at position 39 restores DNA binding ability of HapRV2 (HapRV2G), thereby rescuing the protease-negative phenotype of this strain. The elution profile of HapRV2 and HapRV2G proteins in size-exclusion chromatography and their circular dichroism spectra did not reflect any significant differences to explain the functional discrepancies between the two proteins. To gain insight into the structure-function relationship of these two proteins, we acquired small/wide angle x-ray scattering data from samples of the native and G39D mutant. Although Guinier analysis and indirect Fourier transformation of scattering indicated only a slight difference in the shape parameters, structure reconstruction using dummy amino acids concluded that although HapR adopts a 'Y' shape similar to its crystal structure, the G39D mutation in hinge drastically altered the DNA binding domains by bringing them in close proximity. This altered spatial orientation of the helix-turn-helix domains in this natural variant provides the first structural evidence on the functional role of the hinge region in quorum sensing-related DNA-binding regulatory proteins of Vibrio spp.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2013

PROBING THE '30 {mu}m' FEATURE: LESSONS FROM EXTREME CARBON STARS

Some carbon-rich evolved stars exhibit a very prominent spectral feature at {approx}{sup 3}0 {mu}m''. The C-rich nature of these objects suggests that the carrier is a sulfide, carbide, or other substance apt to form in a reducing environment. However, the carrier of this spectral feature remains disputed, with magnesium sulfide (MgS) as the most favored candidate. In order to investigate the carrier of the {sup 3}0 {mu}m'' feature further, we have taken a dual approach, studying both laboratory and observational data. In order to obtain a homogeneous sample, we studied the {sup 3}0 {mu}m'' feature observed in the spectra of galactic extreme carbon stars that exhibit the 11 {mu}m SiC absorption feature. Thus, we avoid potential differences in the target objects that could contribute to the observed differences in the shape, position, and strength of the {sup 3}0 {mu}m'' feature. In addition, we analyzed the shape and position of the {sup 3}0 {mu}m'' features for a range of sulfide minerals for which laboratory data exist. Our study of observed astronomical features shows a range of shapes and positions for the {sup 3}0 {mu}m'' feature despite similarities in the source objects. The nature of our sample argues against grain processing or temperature differences due to hardening of the stellar radiation field with evolution. While there are very few correlations between spectral parameters for our sample, the peak positions of the {approx}11 {mu}m absorption and 30 {mu}m emission features do correlate, and these peak positions correlate with the modeled optical depth. These correlations suggest that the carriers of the observable spectral features are closely related to one another and to the density/pressure in the dust formation zone. Furthermore, we suggest that the blue-broadening of the 11 {mu}m feature cannot be attributed to SiS{sub 2} based on existing laboratory spectra, but further lab work is needed to investigate the effect of increasing oxidation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2011

Cosmic ray propagation time scales: lessons from radioactive nuclei and positron data

We take a fresh look at high energy radioactive nuclei data reported in the 90's and at the positron data recently reported by PAMELA. Our aim is to study the model independent implications of these data for the propagation time scales of cosmic rays in the Galaxy. Considering radioactive nuclei, using decaying charge to decayed charge ratios — the only directly relevant data available at relativistic energies — we show that a rigidity independent residence time is consistent with observations. The data for all nuclei can be described by f{sub s,i} = (t{sub i}/100 Myr){sup 0.7}, where f{sub s,i} is the suppression of the flux due to decay and t{sub i} is the observer frame lifetime for nucleus specie i. Considering positron measurements, we argue that the positron flux is consistent with a secondary origin. Comparing the positron data with radioactive nuclei at the same energy range, we derive an upper bound on the mean electromagnetic energy density traversed by the positrons, U-bar {sub T} < 1.25 eV/cm{sup 3} at a rigidity of R = 40 GV. Charge ratio measurements within easy reach of the AMS-02 experiment, most notably a determination of the Cl/Ar ratio extending up to R ∼ 100 GV, will constrain the energy dependence of the positron cooling time. Such constraints can be used to distinguish between different propagation scenarios, as well as to test the secondary origin hypothesis for the positrons in detail.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Isotropic extragalactic flux from dark matter annihilations: lessons from interacting dark matter scenarios

The extragalactic γ-ray and neutrino emission may have a contribution from dark matter (DM) annihilations. In the case of discrepancies between observations and standard predictions, one could infer the DM pair annihilation cross section into cosmic rays by studying the shape of the energy spectrum. So far all analyses of the extragalactic DM signal have assumed the standard cosmological model (ΛCDM) as the underlying theory. However, there are alternative DM scenarios where the number of low-mass objects is significantly suppressed. Therefore the characteristics of the γ-ray and neutrino emission in these models may differ from ΛCDM as a result. Here we show that the extragalactic isotropic signal in these alternative models has a similar energy dependence to that in ΛCDM, but the overall normalisation is reduced. The similarities between the energy spectra combined with the flux suppression could lead one to misinterpret possible evidence for models beyond ΛCDM as being due to CDM particles annihilating with a much weaker cross section than expected.

79 ASTRONOMY AND ASTROPHYSICS↗